SCHEMBL7067283

SCHEMBL7067283

Cc1cc(OCCCC(=O)O)cc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL7067278 1.00 MCL1 (0.42) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6488315 0.89 MAPT (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6829591 0.84 L3MBTL1 (0.45) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6829590 0.84 L3MBTL1 (0.45) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7065691 0.83 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL7065694 0.81 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL18298826 0.80 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7129395 0.77 MEN1 (0.39) L3MBTL1MAPTHPGDALDH1A1GAA
SCHEMBL6501580 0.77 MCL1 (0.47) MCL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6488469 0.76 SMN1; SMN2 (0.43) CYP1A2CYP3A4CYP2C19L3MBTL1MAPT

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed