SCHEMBL6530157

SCHEMBL6530157

COc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 9/20 0.77
COMT P21964 1/20 0.74
MMP2 P08253 2/20 0.71
MMP9 P14780 2/20 0.71
MMP8 P22894 2/20 0.71
MMP13 P45452 2/20 0.71
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
PKM P14618 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 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

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
SCHEMBL6513034 0.89 HPSE (0.72) HPSECOMTMMP2MMP9MMP8
SCHEMBL6528576 0.88 HPSE (0.82) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6506260 0.88 MMP2 (0.93) HPSECOMTMMP2MMP9MMP8
SCHEMBL8820125 0.88 HPSE (1.00) HPSECOMTMMP2MMP9MMP8
SCHEMBL6281518 0.88 HPSE (1.00) HPSECOMTMMP2MMP9MMP8
SCHEMBL6529336 0.87 HPSE (0.73) HPSECOMTMMP2MMP9MMP8
SCHEMBL14381860 0.86 COMT (0.70) HPSECOMTMMP2MMP9MMP8
SCHEMBL14381881 0.86 COMT (0.70) HPSECOMTMMP2MMP9MMP8
SCHEMBL14381555 0.86 COMT (0.70) HPSECOMTMMP2MMP9MMP8
SCHEMBL2244178 0.86 HPSE (0.78) HPSECOMTMMP2MMP9MMP8

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