SCHEMBL6585540

SCHEMBL6585540

Cc1cccc(-c2nc3c(OC(N)=O)cccc3[nH]2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP1 P09874 14/20 0.46
HPSE Q9Y251 1/20 0.43
PLA2G2A P14555 1/20 0.41
PTGS2 P35354 1/20 0.41
DHODH Q02127 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PRKD3 O94806 2/20 0.39
PIM1 P11309 2/20 0.39
GSK3A P49840 2/20 0.39
DYRK1A Q13627 2/20 0.39

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
SCHEMBL6585381 0.82 CBFB (0.67) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL124235 0.81 CBFB (0.68) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL6805347 0.81 PARP1 (0.63) ALOX15PARP1PLA2G2APTGS2DHODH
SCHEMBL6590890 0.78 METAP2 (0.50) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL6591503 0.78 PARP1 (0.44) ALOX15ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL7479706 0.78 PARP1 (0.49) ALOX15PARP1HPSEPLA2G2APTGS2
SCHEMBL6587744 0.78 CBFB (0.44) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL6591203 0.78 PIM1 (0.54) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL6587182 0.77 MEN1 (0.52) CBFBALOX15ALDH1A1TP53CYP3A4
SCHEMBL6592136 0.77 PARP1 (0.43) CBFBALOX15ALDH1A1TP53CYP3A4

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