SCHEMBL6514739

SCHEMBL6514739

O=C(Nc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.80
MMP9 P14780 6/20 0.80
MMP8 P22894 6/20 0.80
MMP13 P45452 6/20 0.80
HPSE Q9Y251 3/20 0.74
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
COMT P21964 1/20 0.62
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.59
PRMT5 O14744 1/20 0.58

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
SCHEMBL6506903 0.92 HPSE (0.72) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6511104 0.92 HPSE (0.72) MMP2MMP9MMP8MMP13HPSE
SCHEMBL2242293 0.90 MMP2 (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6506624 0.89 HPSE (0.68) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6530461 0.88 KDM4E (0.70) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6506260 0.86 MMP2 (0.93) MMP2MMP9MMP8MMP13HPSE
SCHEMBL8820125 0.86 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6281518 0.86 HPSE (1.00) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6529482 0.86 HPSE (0.59) MMP2MMP9MMP8MMP13HPSE
SCHEMBL6528511 0.85 HPSE (0.67) 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-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed