SCHEMBL7566947

SCHEMBL7566947

Cc1ccccc1Nc1ccc(C(=S)c2ncccc2OCl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.51
MAPK13 O15264 11/20 0.51
MAPK12 P53778 11/20 0.51
MAPK11 Q15759 11/20 0.51
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 1/20 0.37
CCNK O75909 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7082606 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7571971 0.87 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7079282 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7566944 0.82 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7076132 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7080441 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL5174459 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7075155 0.78 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7080485 0.76 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL7079512 0.76 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11KMT2A

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