SCHEMBL2570940

SCHEMBL2570940

C=C(C)C(=O)OCCNC(=O)c1ccc(C)c(C(=O)c2ccc(Nc3ccccc3)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.53
MAPK12 P53778 9/20 0.53
MAPK11 Q15759 9/20 0.53
MAPK14 Q16539 9/20 0.53
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
PPARG P37231 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL2198867 0.86 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2197454 0.85 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2199334 0.85 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2198471 0.84 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198875 0.78 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL2198996 0.77 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL2195134 0.77 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2199744 0.76 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL2202231 0.75 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198835 0.74 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed