SCHEMBL6528511

SCHEMBL6528511

O=C(Nc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)c1cccc(OCBr)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 10/20 0.67
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
MMP13 P45452 2/20 0.58
MAPT P10636 5/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6514739 0.85 MMP2 (0.80) HPSEMMP2MMP9MMP8MMP13
SCHEMBL25206721 0.84 MMP2 (0.68) HPSEMMP2MMP9MMP8MMP13
SCHEMBL30442876 0.84 MMP2 (0.68) HPSEMMP2MMP9MMP8MMP13
SCHEMBL30445806 0.82 PRSS12 (0.63) HPSEMMP2MMP9MMP8MMP13
SCHEMBL25247637 0.82 PRSS12 (0.63) HPSEMMP2MMP9MMP8MMP13
SCHEMBL30445839 0.82 MMP2 (0.66) HPSEMMP2MMP9MMP8MMP13
SCHEMBL25202397 0.82 MMP2 (0.66) HPSEMMP2MMP9MMP8MMP13
SCHEMBL25232314 0.81 MAPT (0.59) HPSEMMP2MMP9MMP8MMP13
SCHEMBL30445817 0.81 MAPT (0.59) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6503250 0.80 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-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed