SCHEMBL6580875

SCHEMBL6580875

NC(=O)Oc1cccc2[nH]c(-c3cccc(N4CCNCC4)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.48
HTR7 P34969 4/20 0.46
HTR1A P08908 3/20 0.46
GRK6 P43250 1/20 0.46
PRKCI P41743 1/20 0.41
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41

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
SCHEMBL6583802 0.90 PARP1 (0.60) PARP1
SCHEMBL6581733 0.86 PARP1 (0.56) PARP1
SCHEMBL6582942 0.84 PARP1 (0.43) PARP1HTR7CDK1CDK2MKNK1
SCHEMBL3582857 0.84 PARP1 (0.66) PARP1MKNK2
SCHEMBL6588365 0.82 AURKA (0.54) PARP1CDK1CDK2MKNK1MKNK2
SCHEMBL6578530 0.81 PARP1 (0.67) PARP1
SCHEMBL6869623 0.80 PARP1 (0.49) PARP1
SCHEMBL6591285 0.79 AURKA (0.51) PARP1CDK1CDK2MKNK1MKNK2
SCHEMBL6581295 0.78 AURKB (0.56) PARP1
SCHEMBL6579004 0.77 PARP1 (0.41) PARP1MKNK2

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 6 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
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
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO 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