SCHEMBL7571963

SCHEMBL7571963

Cc1ccccc1Nc1ccc(C(=O)c2nccc(O)c2Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.64
MAPK13 O15264 12/20 0.64
MAPK12 P53778 12/20 0.64
MAPK11 Q15759 12/20 0.64
AURKA O14965 1/20 0.41
PTK6 Q13882 1/20 0.40
GRM4 Q14833 2/20 0.40
S1PR1 P21453 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7566944 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11AURKA
SCHEMBL7080441 0.85 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7080273 0.85 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11PTK6
SCHEMBL7571971 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11AURKA
SCHEMBL7082605 0.80 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL1904637 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL7079244 0.78 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL7079647 0.77 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL27509293 0.76 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27494244 0.76 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11

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
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO claimed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO disclosed