SCHEMBL3630295

SCHEMBL3630295

Nc1cccc2nnc(=O)c3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 4/20 0.41
GLA P06280 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PTBP1 P26599 1/20 0.41
RCE1 Q9Y256 1/20 0.41
GPR3 P46089 1/20 0.40

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
SCHEMBL1179339 0.74 GPR3 (0.67) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL1351306 0.69 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10KMT2AMEN1
Phosphoric Acid SCHEMBL4846299 0.67 GPR3 (0.54) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL7635103 0.67 ADORA2A (0.56) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL22990637 0.66 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL29405609 0.66 GPR3 (0.58) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL841678 0.66 KDM4E (0.57) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL28960473 0.66 AXL (0.44) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL18600593 0.65 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL18600594 0.65 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10POLBKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 EP disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed
EP-1222191-B1 BENZODIAZEPIN DERIVATIVES, THE PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
EP-1127052-B1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-12-08 EP disclosed
EP-1391457-A1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors Abbott GmbH & Co. KG (DE) 2004-02-25 EP disclosed
EP-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed