SCHEMBL6514534

SCHEMBL6514534

O=C(Nc1ccc(Cc2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 5/20 0.77
SMN1; SMN2 Q16637 2/20 0.69
PKM P14618 1/20 0.69
NTRK1 P04629 4/20 0.64
MMP2 P08253 3/20 0.61
MMP13 P45452 3/20 0.61
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
NTRK2 Q16620 2/20 0.60
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL6280418 0.90 HPSE (0.78) HPSESMN1; SMN2PKMMMP2MMP13
SCHEMBL6533676 0.88 HPSE (1.00) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL943034 0.88 HPSE (1.00) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL6503052 0.82 HPSE (0.87) HPSESMN1; SMN2NTRK1MMP2MMP13
SCHEMBL6532513 0.82 HPSE (0.87) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL6506352 0.82 HPSE (0.87) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL6262306 0.80 PKM (0.73) HPSESMN1; SMN2PKMNTRK1MMP2
SCHEMBL6506260 0.80 MMP2 (0.93) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL8820296 0.79 MMP2 (0.82) HPSESMN1; SMN2MMP2MMP13MMP9
SCHEMBL6528576 0.78 HPSE (0.82) HPSESMN1; SMN2PKMMMP2MMP13

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