SCHEMBL5637541

SCHEMBL5637541

CCCn1c(SCc2ccccc2S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.61
MAPK13 O15264 12/20 0.61
MAPK12 P53778 12/20 0.61
MAPK11 Q15759 12/20 0.61
ALOX5 P09917 1/20 0.43
MAPK10 P53779 1/20 0.40
GCGR P47871 2/20 0.38

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 0.93 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5638989 0.88 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639239 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639961 0.84 ALOX5 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5641122 0.84 ALOX5 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5638394 0.84 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5637540 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5637592 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5641653 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5639815 0.81 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5

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