SCHEMBL6513034

SCHEMBL6513034

CCOc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 0.72
MMP2 P08253 2/20 0.67
MMP9 P14780 2/20 0.67
MMP8 P22894 2/20 0.67
MMP13 P45452 2/20 0.67
MAPT P10636 5/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
COMT P21964 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 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
SCHEMBL15705235 0.97 HPSE (0.77) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6530157 0.89 HPSE (0.77) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14382288 0.86 HPSE (0.75) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6528576 0.85 HPSE (0.82) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506260 0.85 MMP2 (0.93) HPSEMMP2MMP9MMP8MMP13
SCHEMBL8820125 0.85 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6281518 0.85 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL2244178 0.83 HPSE (0.78) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6261453 0.83 HPSE (0.68) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202550 0.82 HPSE (0.88) 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