SCHEMBL6922928

SCHEMBL6922928

Cc1cc(OCCCC(=O)O)cc2c1nc(C)n2CCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.41
MAPT P10636 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 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
SCHEMBL6497809 0.91 MCL1 (0.41) MCL1MAPTAGBL2FFAR4ALDH1A1
SCHEMBL6920280 0.86 PDE3B (0.42) MCL1MAPTFFAR4ALDH1A1GAA
SCHEMBL6492273 0.83 MCL1 (0.39) MCL1MAPTAGBL2FFAR4ALDH1A1
SCHEMBL6489825 0.82 L3MBTL1 (0.43) MCL1MAPTALDH1A1GAAL3MBTL1
SCHEMBL6922932 0.80 MAPK1 (0.41) MCL1AGBL2FFAR4ALDH1A1GAA
SCHEMBL6491201 0.79 MCL1 (0.43) MCL1MAPTFFAR4ALDH1A1BCL2L1
SCHEMBL6500708 0.78 MCL1 (0.47) MCL1BCL2L1
SCHEMBL6490952 0.78 ALOX5AP (0.43) MCL1FFAR4ALDH1A1GAAMEN1
SCHEMBL6489538 0.77 MCL1 (0.42) MCL1MAPTFFAR4ALDH1A1BCL2L1
SCHEMBL6490678 0.77 MCL1 (0.41) MCL1FFAR4BCL2L1

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