SCHEMBL6584933

SCHEMBL6584933

NC(=O)Oc1cccc2[nH]c(-c3ccc4[nH]nnc4c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.47
HPSE Q9Y251 2/20 0.43
DHODH Q02127 1/20 0.42
PLA2G2A P14555 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS2 P35354 1/20 0.42
CHEK2 O96017 1/20 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
SCHEMBL6806885 0.83 PARP1 (0.63) PARP1DHODHCHEK2
SCHEMBL6585182 0.83 PARP1 (0.47) PARP1HPSEDHODHPLA2G2AALOX15
SCHEMBL6578530 0.79 PARP1 (0.67) PARP1HPSEDHODH
SCHEMBL6589950 0.79 PKN1 (0.46) PARP1HPSEDHODHPLA2G2AALOX15
SCHEMBL6585526 0.78 PARP1 (0.47) PARP1HPSEDHODHCHEK2
SCHEMBL6384512 0.77 PARP1 (0.56) PARP1HPSEDHODHPLA2G2AALOX15
SCHEMBL6590709 0.77 PKN1 (0.66) PARP1HPSEDHODHPLA2G2AALOX15
SCHEMBL6383675 0.76 PARP1 (0.57) PARP1DHODH
SCHEMBL6380066 0.75 PARP1 (0.55) PARP1
SCHEMBL6586775 0.75 PARP1 (0.46) PARP1HPSEDHODHPLA2G2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed