SCHEMBL6528576

SCHEMBL6528576

Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 7/20 0.82
MMP2 P08253 3/20 0.76
MMP9 P14780 3/20 0.76
MMP8 P22894 3/20 0.76
MMP13 P45452 3/20 0.76
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
MAPT P10636 3/20 0.63
POLB P06746 3/20 0.63
THRB P10828 1/20 0.63
RECQL P46063 1/20 0.63
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
ADRB2 P07550 1/20 0.62
CYP3A4 P08684 1/20 0.61

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
SCHEMBL6506260 0.91 MMP2 (0.93) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6281518 0.91 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL8820125 0.91 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6530157 0.88 HPSE (0.77) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506903 0.87 HPSE (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6511104 0.87 HPSE (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202550 0.87 HPSE (0.88) HPSEMMP2MMP9MMP8MMP13
SCHEMBL2242293 0.87 MMP2 (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL943034 0.87 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6533676 0.87 HPSE (1.00) 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