SCHEMBL6529336

SCHEMBL6529336

COc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 11/20 0.73
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 2/20 0.63
PKM P14618 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
COMT P21964 1/20 0.59
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 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
SCHEMBL6530157 0.87 HPSE (0.77) HPSEKDM4EALDH1A1NPC1PKM
SCHEMBL6528731 0.86 HPSE (0.61) HPSEKDM4EALDH1A1HPGD
SCHEMBL943034 0.86 HPSE (1.00) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL6533676 0.86 HPSE (1.00) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL6508327 0.84 HPSE (0.66) HPSEKDM4EALDH1A1NPC1PKM
SCHEMBL2739970 0.83 HPSE (0.65) HPSEKDM4EALDH1A1NPC1PKM
SCHEMBL6530058 0.83 NPC1 (0.83) HPSEKDM4EALDH1A1NPC1PKM
SCHEMBL25674602 0.82 HPSE (0.78) HPSEKDM4EALDH1A1NPC1PKM
SCHEMBL6532513 0.82 HPSE (0.87) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL6529296 0.82 HPSE (1.00) HPSEKDM4EALDH1A1MMP2MMP9

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