SCHEMBL4466262

SCHEMBL4466262

C[S+]([O-])c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3cccnc3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.58
MAPK13 O15264 10/20 0.54
MAPK12 P53778 10/20 0.54
MAPK11 Q15759 10/20 0.54
GSK3B P49841 1/20 0.45

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
SCHEMBL6581558 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4106398 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4471588 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4463032 0.85 PTGS2 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4459341 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4476561 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4460710 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581555 0.81 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6249453 0.79 MAPK11 (0.56) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4474367 0.79 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GSK3B

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-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 WO disclosed