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SCHEMBL7585243

SCHEMBL7585243

Cc1ccc(C(=NO)c2ccc(Nc3ccccc3C)cc2Cl)s1.Cc1ccccc1Nc1ccc(C(=NO)c2c(C)noc2C)c(Cl)c1.Cc1ccccc1Nc1ccc(C(=NO)c2nc(C)c(C)s2)c(Cl)c1.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2N)cc1Cl.Cn1ccnc1C(=NO)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.37
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 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
SCHEMBL7584511 0.89 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7082272 0.76 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7082270 0.76 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7079620 0.72 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7079618 0.72 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7083149 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7083146 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7079856 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7079854 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7080621 0.70 MAPK14 (0.52) 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 1 patent. 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