SCHEMBL29411968

SCHEMBL29411968

O=[N+]([O-])c1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
RXFP1 Q9HBX9 2/20 0.64
RAB9A P51151 2/20 0.64
PKM P14618 2/20 0.64
CFTR P13569 2/20 0.61
HPGD P15428 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PIN1 Q13526 2/20 0.55
CASR P41180 1/20 0.54
CYP19A1 P11511 1/20 0.53
PDE6D O43924 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AR P10275 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL28484825 1.00 ALDH1A1 (0.64) ALDH1A1RXFP1RAB9APKMCFTR
SCHEMBL15569406 0.89 CFTR (0.72) ALDH1A1RXFP1RAB9APKMCFTR
SCHEMBL29412087 0.89 CFTR (0.72) ALDH1A1RXFP1RAB9APKMCFTR
SCHEMBL29412009 0.89 ALDH1A1 (0.57) ALDH1A1RXFP1RAB9APKMCFTR
SCHEMBL29412099 0.87 CFTR (0.63) ALDH1A1CFTRHPGDL3MBTL1PIN1
SCHEMBL28478230 0.87 CFTR (0.63) ALDH1A1CFTRHPGDL3MBTL1PIN1
SCHEMBL28377078 0.85 CFTR (0.67) ALDH1A1RXFP1RAB9APKMCFTR
SCHEMBL15314762 0.84 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1CASRPDE6D
SCHEMBL29411911 0.84 ALDH1A1 (0.73) ALDH1A1HPGDL3MBTL1CASRPDE6D
SCHEMBL29829604 0.83 ALDH1A1 (0.50) ALDH1A1RXFP1RAB9APKMCFTR

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-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 WO disclosed