SCHEMBL5639664

SCHEMBL5639664

Fc1ccc(-c2c(-c3ccncc3)nc(S)n2CCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.62
MAPK13 O15264 12/20 0.62
MAPK12 P53778 12/20 0.62
MAPK11 Q15759 12/20 0.62
ALOX5 P09917 1/20 0.49

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
SCHEMBL6171037 0.95 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5641898 0.84 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6171878 0.81 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6583245 0.81 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL5640788 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5638133 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6177031 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6582427 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4916399 0.77 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7355719 0.76 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11

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