SCHEMBL6507068

SCHEMBL6507068

COc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1Br

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 18/20 0.94
MMP2 P08253 2/20 0.65
MMP9 P14780 2/20 0.65
MMP8 P22894 2/20 0.65
MMP13 P45452 2/20 0.65

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
SCHEMBL6244183 0.97 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6529296 0.91 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6503250 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL2246214 0.88 HPSE (0.83) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6247649 0.88 HPSE (0.82) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244234 0.87 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6265143 0.87 HPSE (0.80) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6246003 0.86 HPSE (0.80) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6247745 0.86 HPSE (0.79) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528428 0.85 HPSE (0.86) HPSEMMP2MMP9MMP8MMP13

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-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed