SCHEMBL6528065

SCHEMBL6528065

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 6/20 0.79
MMP2 P08253 6/20 0.76
MMP9 P14780 6/20 0.76
MMP8 P22894 6/20 0.76
NPC1 O15118 3/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MMP13 P45452 5/20 0.61
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 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
SCHEMBL943034 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6533676 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8NPC1
SCHEMBL5010434 0.87 MMP2 (1.00) MMP2MMP9MMP8NPC1MAPT
SCHEMBL6532545 0.85 HPSE (0.70) HPSEMMP2MMP9MMP8NPC1
SCHEMBL30933737 0.85 NPC1 (0.72) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6526357 0.84 MMP2 (0.70) HPSEMMP2MMP9MMP8NPC1
SCHEMBL27202546 0.83 MMP2 (0.60) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6503052 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6532513 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8NPC1
SCHEMBL6506352 0.83 HPSE (0.87) HPSEMMP2MMP9MMP8NPC1

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