SCHEMBL458836

SCHEMBL458836

NC(=O)c1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 1.00
DHODH Q02127 4/20 0.94
PKN1 Q16512 3/20 0.79
PKN2 Q16513 3/20 0.79
CHEK2 O96017 2/20 0.79
PLK4 O00444 1/20 0.79
MAPK13 O15264 1/20 0.79
DYRK3 O43781 1/20 0.79
ROCK2 O75116 1/20 0.79
RPS6KA5 O75582 1/20 0.79
PRKD3 O94806 1/20 0.79
MAP4K4 O95819 1/20 0.79
PIM1 P11309 1/20 0.79
PHKG2 P15735 1/20 0.79
PRKACA P17612 1/20 0.79
RPS6KB1 P23443 1/20 0.79
CSNK1D P48730 1/20 0.79
CLK2 P49760 1/20 0.79
GSK3A P49840 1/20 0.79
PRKX P51817 1/20 0.79

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29412034 1.00 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL505358 0.97 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL29790551 0.89 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL28840590 0.89 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL7316597 0.88 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL29380664 0.88 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL6809991 0.88 PKN1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL423551 0.88 PARP1 (1.00) PARP1DHODHPKN1PKN2CHEK2
SCHEMBL1298432 0.88 DHODH (0.94) PARP1DHODH
SCHEMBL3159315 0.87 PARP1 (0.78) PARP1DHODHPKN1PKN2CHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US claimed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP claimed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US claimed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO claimed
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP claimed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US claimed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP claimed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO claimed
US-20240105279-A1 METHODS AND SYSTEMS EMPLOYING TARGETED NEXT GENERATION SEQUENCING FOR CLASSIFYING A TUMOR SAMPLE AS HAVING A LEVEL OF HOMOLOGOUS RECOMBINATION DEFICIENCY SIMILAR TO THAT ASSOCIATED WITH MUTATIONS IN BRCA1 OR BRCA2 GENES Genomic Testing Cooperative, LCA (US) 2024-03-28 US disclosed
CN-107915748-B Preparation method of 4- (tert-butyl) -1-phenyl-imidazo [4,5,1-kl ] phenoxazine 华东师范大学 2020-05-12 CN disclosed
CN-107915748-A A kind of preparation method of 4 (tert-butyl group) 1 phenylimidazoles simultaneously [4,5,1 kl] phenoxazine 华东师范大学 2018-04-17 CN disclosed
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 EP disclosed
US-8288387-B2 Napthalimide-benzimidazole hybrids as potential antitumor agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-16 US disclosed
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US disclosed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed
WO-2000029384-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO disclosed