SCHEMBL5638989

SCHEMBL5638989

CS(=O)(=O)c1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.46
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
ALOX5 P09917 1/20 0.43
GNRHR P30968 1/20 0.42
RIPK3 Q9Y572 1/20 0.40
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TBXA2R P21731 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37

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 0.90 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5637541 0.88 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5638985 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639961 0.85 ALOX5 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5641122 0.84 ALOX5 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639815 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5637592 0.76 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5640777 0.75 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5639239 0.74 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5637540 0.73 MAPK14 (0.63) 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