SCHEMBL29412142

SCHEMBL29412142

O=[N+]([O-])c1ccccc1-c1nc2ccccc2n1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.61
CASR P41180 3/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSD P07339 1/20 0.45
GUSB P08236 1/20 0.45

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
SCHEMBL3306340 1.00 CFTR (0.61) CFTRCASRPOLBKDM4EMEN1
SCHEMBL29411951 0.89 CFTR (0.72) CFTRKDM4EMEN1KMT2ALMNA
SCHEMBL10475864 0.86 CFTR (0.52) CFTRCASRPOLBKDM4EMEN1
SCHEMBL28381810 0.81 CFTR (0.56) CFTRKDM4EMEN1KMT2ALMNA
SCHEMBL6514222 0.80 ALDH1A1 (0.59) CFTRPOLBKDM4EMEN1KMT2A
SCHEMBL29411968 0.80 ALDH1A1 (0.64) CFTRCASRKDM4EMEN1KMT2A
SCHEMBL28484825 0.80 ALDH1A1 (0.64) CFTRCASRKDM4EMEN1KMT2A
SCHEMBL28901986 0.79 MEN1 (0.58) CASRPOLBKDM4EMEN1KMT2A
SCHEMBL29412050 0.79 MEN1 (0.58) CASRPOLBKDM4EMEN1KMT2A
SCHEMBL6514322 0.79 ALDH1A1 (0.62) CFTRPOLBKDM4EMEN1KMT2A

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