SCHEMBL6586846

SCHEMBL6586846

NC(=O)Oc1cccc2[nH]c(-c3cc(-c4ccccc4)no3)nc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.46
DHODH Q02127 5/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CHEK2 O96017 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL6591532 0.88 PARP1 (0.41) PARP1PARP2
SCHEMBL6805464 0.84 PARP1 (0.67) PARP1DHODHCHEK2PARP2
SCHEMBL6591556 0.81 PARP1 (0.40) PARP1PARP2
SCHEMBL6587689 0.79 PARP1 (0.39) PARP1CHEK2PARP2
SCHEMBL6589472 0.78 PKN2 (0.39) PARP1
SCHEMBL6586253 0.78 PARP1 (0.38) PARP1
SCHEMBL6589114 0.78 PARP1 (0.57) PARP1DHODHCHEK2PARP2
SCHEMBL6590776 0.77 PARP1 (0.46) PARP1DHODHCHEK2
SCHEMBL6587155 0.77 PARP1 (0.44) PARP1DHODHCHEK2
SCHEMBL6585207 0.77 PARP1 (0.51) PARP1DHODHCHEK2PARP2

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 4 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-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed