SCHEMBL7568656

SCHEMBL7568656

Cc1ccccc1Nc1ccc(C(=S)S(=C(c2ccc(Nc3ccccc3C)cc2Cl)c2csc3ccccc23)c2occ3ccccc23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.41
MAPK13 O15264 9/20 0.41
MAPK12 P53778 9/20 0.41
MAPK11 Q15759 9/20 0.41
PIK3CA P42336 5/20 0.34
MAOB P27338 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL7568658 0.81 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL7079261 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL7080292 0.74 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL7568661 0.74 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL7080464 0.74 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7079458 0.73 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PIK3CA
SCHEMBL7079819 0.71 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAOB
SCHEMBL7079670 0.68 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7079301 0.66 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7080338 0.66 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAPT

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