SCHEMBL6591503

SCHEMBL6591503

Cc1ccc(-c2nc3c(OC(N)=O)cccc3[nH]2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.44
HPSE Q9Y251 1/20 0.41
PLA2G2A P14555 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK4 O00444 1/20 0.38

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
SCHEMBL6591536 0.82 PARP1 (0.39) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6807461 0.81 PARP1 (0.60) PARP1PLA2G2AALOX15PTGS2PLK4
SCHEMBL6589114 0.80 PARP1 (0.57) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6585540 0.78 CBFB (0.47) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6591556 0.77 PARP1 (0.40) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL7479706 0.76 PARP1 (0.49) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6592136 0.75 PARP1 (0.43) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6587182 0.75 MEN1 (0.52) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6590709 0.75 PKN1 (0.66) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6587689 0.75 PARP1 (0.39) PARP1HPSEPLA2G2AALOX15PTGS2

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