SCHEMBL16634589

SCHEMBL16634589

Nc1ccccc1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.78
MAPK12 P53778 7/20 0.78
MAPK11 Q15759 7/20 0.78
MAPK14 Q16539 7/20 0.78
MAPT P10636 7/20 0.68
KDM4E B2RXH2 7/20 0.68
GAA P10253 7/20 0.68
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 3/20 0.68
HPGD P15428 2/20 0.68
THRB P10828 2/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL3978775 0.88 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL17077674 0.84 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL27497826 0.83 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6654831 0.83 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4607773 0.82 MAPT (0.86) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL15762048 0.82 GAA (0.63) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3499186 0.81 SIRT2 (0.68) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2342942 0.81 GAA (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL9797263 0.81 GAA (0.76) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL9396738 0.81 MAPT (0.91) MAPK13MAPK12MAPK11MAPK14MAPT

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed