SCHEMBL7566170

SCHEMBL7566170

Cc1c(C)c(Nc2ccc(C(=S)c3sccc3Cl)c(Cl)c2)c(C)c(C)c1Br.Cc1cc(Br)ccc1Nc1ccc(C(=S)c2sccc2Cl)c(Cl)c1.FC(F)(F)c1ccccc1Nc1ccc(C(=S)c2sccc2Cl)c(Cl)c1.N#Cc1cc(Br)ccc1Nc1ccc(C(=S)c2sccc2Cl)c(Cl)c1.Nc1cc(Br)ccc1Nc1ccc(C(=S)c2sccc2Cl)c(Cl)c1.O=[N+]([O-])c1cc(Br)ccc1Nc1ccc(C(=S)c2sccc2Cl)c(Cl)c1.S=C(c1ccc(Nc2ccc(Br)cc2Cl)cc1Cl)c1sccc1Cl.S=C(c1ccc(Nc2cncc3ccccc23)cc1Cl)c1sccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL7566173 0.97 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7567059 0.83 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7573251 0.72 MAPK14 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080601 0.68 KMT2A (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7587066 0.68 MAPK13 (0.30) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7082009 0.67 ADRA2A (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7077185 0.67 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7566031 0.65 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7076153 0.65 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080366 0.65 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14

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 disclosed