QuartataWeb 1.0

38 known interactions (drugs) of input target (TOP2A): DNA topoisomerase 2-alpha

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Investigational	SmallMoleculeDrug	DB06362	Becatecarin	CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2
2	Approved; Withdrawn	SmallMoleculeDrug	DB00380	Dexrazoxane	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
3	Approved; Investigational	SmallMoleculeDrug	DB01208	Sparfloxacin	C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O
4	Approved; Investigational	SmallMoleculeDrug	DB00537	Ciprofloxacin	OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
5	Approved	SmallMoleculeDrug	DB04576	Fleroxacin	CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O
6	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00685	Trovafloxacin	[H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O
7	Investigational	SmallMoleculeDrug	DB06421	Declopramide	CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1
8	Approved; Investigational	SmallMoleculeDrug	DB01204	Mitoxantrone	OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1
9	Approved	SmallMoleculeDrug	DB00773	Etoposide	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O
10	Approved; Investigational	SmallMoleculeDrug	DB00276	Amsacrine	COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1
11	Investigational	SmallMoleculeDrug	DB01645	Genistein	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O
12	Investigational	SmallMoleculeDrug	DB06042	ZEN-012	NA
13	Approved	SmallMoleculeDrug	DB00445	Epirubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
14	Approved; Investigational	SmallMoleculeDrug	DB00978	Lomefloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12
15	Approved; Investigational	SmallMoleculeDrug	DB01137	Levofloxacin	C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
16	Investigational	SmallMoleculeDrug	DB06013	Aldoxorubicin	COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(\CO)=N\NC(=O)CCCCCN4C(=O)C=CC4=O)C(O)=C3C(=O)C2=CC=C1
17	Investigational	SmallMoleculeDrug	DB06420	Annamycin	C[C@@H]1O[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=CC=CC=C4C(=O)C2=C3O)C(=O)CO)[C@H](I)[C@H](O)[C@H]1O
18	Investigational	SmallMoleculeDrug	DB05022	Amonafide	CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23
19	Approved; Investigational	SmallMoleculeDrug	DB09047	Finafloxacin	[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O
20	Approved	SmallMoleculeDrug	DB00385	Valrubicin	[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(OC)C=CC=C1C3=O)C(=O)COC(=O)CCCC)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1
21	Approved	SmallMoleculeDrug	DB01177	Idarubicin	C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O
22	Approved; Investigational	SmallMoleculeDrug	DB00997	Doxorubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
23	Approved; Investigational	SmallMoleculeDrug	DB06263	Amrubicin	[H][C@@]1(C[C@@](N)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O)O[C@H]1C[C@H](O)[C@H](O)CO1
24	Investigational	SmallMoleculeDrug	DB04978	SP1049C	NA
25	Approved	SmallMoleculeDrug	DB00487	Pefloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1
26	Approved	SmallMoleculeDrug	DB00694	Daunorubicin	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O
27	Approved	SmallMoleculeDrug	DB00444	Teniposide	[H][C@]12COC(=O)[C@]1([H])[C@]([H])(C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@]2([H])O[C@]1([H])O[C@]2([H])CO[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]1([H])O)C1=CC=CS1
28	Investigational	SmallMoleculeDrug	DB05920	RTA 744	NA
29	Investigational	SmallMoleculeDrug	DB05706	13-deoxydoxorubicin	COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(CCO)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1
30	Investigational	SmallMoleculeDrug	DB05129	Elsamitrucin	CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O
31	Approved; Investigational	SmallMoleculeDrug	DB04967	Lucanthone	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1
32	Approved	SmallMoleculeDrug	DB01059	Norfloxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1
33	Approved; Investigational	SmallMoleculeDrug	DB00467	Enoxacin	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1
34	Approved	SmallMoleculeDrug	DB01165	Ofloxacin	CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
35	Approved; Investigational	SmallMoleculeDrug	DB00970	Dactinomycin	[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
36	Approved	SmallMoleculeDrug	DB01179	Podofilox	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O
37	Approved; Investigational	SmallMoleculeDrug	DB00218	Moxifloxacin	[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O
38	Investigational	SmallMoleculeDrug	DB04975	Banoxantrone	C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O

20 predicted interactions (drugs) of input target (TOP2A): DNA topoisomerase 2-alpha

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	41.1%
2	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	39.5%
3	Investigational	SmallMoleculeDrug	DB05488	Technetium Tc-99m ciprofloxacin	NA	32.5%
4	Approved; Investigational	SmallMoleculeDrug	DB00905	Bimatoprost	CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1	31.9%
5	Approved; Nutraceutical	SmallMoleculeDrug	DB00151	L-Cysteine	N[C@@H](CS)C(O)=O	31.7%
6	Approved; Investigational	SmallMoleculeDrug	DB11638	Artenimol	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4	31.2%
7	Experimental	SmallMoleculeDrug	DB08651	3'-THIO-THYMIDINE-5'-PHOSPHATE	[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O	31.0%
8	Experimental	SmallMoleculeDrug	DB01946	3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2	30.4%
9	Approved; Nutraceutical	SmallMoleculeDrug	DB00172	L-Proline	OC(=O)[C@@H]1CCCN1	30.0%
10	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00144	Phosphatidyl serine	CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O	29.7%
11	Approved; Investigational	SmallMoleculeDrug	DB01116	Trimethaphan	O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1	29.6%
12	Investigational	SmallMoleculeDrug	DB05078	AER001	NA	27.7%
13	Approved	SmallMoleculeDrug	DB00768	Olopatadine	CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2	27.6%
14	Approved; Investigational	SmallMoleculeDrug	DB01593	Zinc	[Zn]	27.6%
15	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	27.0%
16	Approved	SmallMoleculeDrug	DB00277	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	26.9%
17	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB04272	Citric Acid	OC(=O)CC(O)(CC(O)=O)C(O)=O	26.2%
18	Approved	SmallMoleculeDrug	DB00975	Dipyridamole	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1	24.8%
19	Approved	SmallMoleculeDrug	DB08819	Tafluprost	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1	24.3%
20	Approved; Investigational	BiotechDrug	DB06612	Mepolizumab	NA	24.0%