SCHEMBL6528428

SCHEMBL6528428

COc1ccc(C(=O)Nc2cccc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1Br

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 17/20 0.86
COMT P21964 1/20 0.56
KMT2A Q03164 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54

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
SCHEMBL6503250 0.93 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244183 0.88 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6247649 0.86 HPSE (0.82) HPSECOMTKMT2AMMP2MMP9
SCHEMBL6507068 0.85 HPSE (0.94) HPSEMMP2MMP9MMP8MMP13
SCHEMBL21803222 0.83 HPSE (1.00) HPSE
SCHEMBL6529281 0.82 HPSE (0.80) HPSE
SCHEMBL6265143 0.82 HPSE (0.80) HPSECOMTKMT2AMMP2MMP9
SCHEMBL20515117 0.82 HPSE (0.79) HPSE
SCHEMBL20515082 0.82 HPSE (0.79) HPSE
SCHEMBL6244234 0.80 HPSE (1.00) HPSEKMT2AMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed