SCHEMBL5641122

SCHEMBL5641122

CC(C)n1c(SCc2ccccc2S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MAPK14 Q16539 17/20 0.43
MAPK11 Q15759 13/20 0.43
MAPK13 O15264 12/20 0.43
MAPK12 P53778 12/20 0.43
MAPK10 P53779 2/20 0.40
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GCGR P47871 2/20 0.37
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK1A1L Q8N752 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
SCHEMBL5640778 0.86 MAPK14 (0.50) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5639961 0.85 ALOX5 (0.44) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5637541 0.84 MAPK14 (0.61) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5638989 0.84 MAPK14 (0.46) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5641118 0.83 MAPK14 (0.58) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5639815 0.81 MAPK14 (0.46) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5638921 0.77 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12TSHR
SCHEMBL5639239 0.72 MAPK14 (0.64) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5639957 0.70 MAPK14 (0.56) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL5638985 0.70 MAPK14 (0.55) ALOX5MAPK14MAPK11MAPK13MAPK12

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 2 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
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US disclosed