SCHEMBL6506260

SCHEMBL6506260

O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.93
MMP9 P14780 5/20 0.93
MMP8 P22894 5/20 0.93
MMP13 P45452 5/20 0.93
HPSE Q9Y251 4/20 0.85
COMT P21964 1/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
KDM4E B2RXH2 4/20 0.67
HPGD P15428 2/20 0.66
ALDH1A1 P00352 1/20 0.66
PRMT5 O14744 1/20 0.65
MAPT P10636 2/20 0.65
POLB P06746 1/20 0.65
THRB P10828 1/20 0.65
RECQL P46063 1/20 0.65
ATM Q13315 1/20 0.65
TP53 P04637 1/20 0.64

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
SCHEMBL2242293 0.96 MMP2 (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6281518 0.92 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL8820125 0.92 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL943034 0.91 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6533676 0.91 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6528576 0.91 HPSE (0.82) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6530157 0.88 HPSE (0.77) MMP2MMP9MMP8MMP13HPSE
SCHEMBL3917809 0.86 HPSE (0.88) MMP2MMP9MMP8MMP13HPSE
SCHEMBL15157862 0.86 HPSE (0.83) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6259448 0.86 HPSE (0.88) MMP2MMP9MMP8MMP13HPSE

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