SCHEMBL5637540

SCHEMBL5637540

CCCn1c(SCc2ccc(S(C)(=O)=O)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.63
MAPK11 Q15759 7/20 0.63
MAPK13 O15264 6/20 0.63
MAPK12 P53778 6/20 0.63
PTGS2 P35354 3/20 0.48
RIPK3 Q9Y572 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSNK1A1L Q8N752 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.43
IDO1 P14902 1/20 0.43
PTGS1 P23219 2/20 0.42

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
SCHEMBL5640777 0.92 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12PTGS2
SCHEMBL5639236 0.87 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12PTGS2
SCHEMBL5639416 0.87 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12SMN1; SMN2
SCHEMBL5638985 0.87 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12PTGS2
SCHEMBL5639854 0.87 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12PTGS2
SCHEMBL5639954 0.86 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12MEN1
SCHEMBL5637592 0.86 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12ALDH1A1
SCHEMBL5638390 0.85 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL5641650 0.85 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12MEN1
SCHEMBL5641118 0.84 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US disclosed