SCHEMBL7065576

SCHEMBL7065576

Cc1cc(OCCCC(=O)O)cc([N+](=O)[O-])c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.40
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL7065570 1.00 MCL1 (0.40) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6498843 0.89 MAPT (0.40) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL19776216 0.77 GPR35 (0.44) KDM4ECYP3A4MAPTMEN1KMT2A
SCHEMBL6501580 0.77 MCL1 (0.47) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7316016 0.75 MCL1 (0.45) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10176161 0.74 MAPT (0.62) KDM4EL3MBTL1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7317408 0.74 MCL1 (0.44) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7067278 0.72 MCL1 (0.42) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7067283 0.72 MCL1 (0.42) MCL1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7306623 0.71 MCL1 (0.44) MCL1KDM4ECYP1A2CYP3A4CYP2D6

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