SCHEMBL6922932

SCHEMBL6922932

Cc1cc(OCCCC(=O)O)cc2c1nc(C)n2C(C)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MCL1 Q07820 2/20 0.40
GAA P10253 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6920283 0.86 FFAR4 (0.41) MAPK1KMT2AMEN1MCL1GAA
SCHEMBL6497809 0.82 MCL1 (0.41) KMT2AMEN1MCL1GAAFFAR4
SCHEMBL6922928 0.80 MCL1 (0.41) KMT2AMEN1MCL1GAAFFAR4
SCHEMBL6492273 0.76 MCL1 (0.39) KMT2AMEN1MCL1GAAFFAR4
SCHEMBL6489825 0.73 L3MBTL1 (0.43) MAPK1KMT2AMEN1MCL1GAA
SCHEMBL6491177 0.70 PPARD (0.40) MCL1FFAR4FFAR1
SCHEMBL7196034 0.70 MRGPRX4 (0.41) MAPK1KMT2AMEN1
SCHEMBL6490952 0.70 ALOX5AP (0.43) KMT2AMEN1MCL1GAAFFAR4
SCHEMBL6491201 0.69 MCL1 (0.43) MCL1FFAR4ALDH1A1
SCHEMBL6920280 0.68 PDE3B (0.42) KMT2AMEN1MCL1GAAFFAR4

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