SCHEMBL6503052

SCHEMBL6503052

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

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 0.87
MMP2 P08253 4/20 0.80
MMP9 P14780 4/20 0.80
MMP8 P22894 4/20 0.80
MMP13 P45452 4/20 0.80
NTRK1 P04629 1/20 0.63
NTRK2 Q16620 1/20 0.63
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL943034 0.93 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6533676 0.93 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506352 0.87 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6532513 0.87 HPSE (0.87) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506260 0.85 MMP2 (0.93) HPSEMMP2MMP9MMP8MMP13
SCHEMBL481735 0.84 NPC1 (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL30933644 0.84 MTOR (0.70) HPSEMMP2MMP9MMP8MMP13
SCHEMBL13942807 0.83 NPC1 (0.70) HPSEMMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL28051575 0.83 NPC1 (0.70) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6529592 0.83 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