SCHEMBL5316005

SCHEMBL5316005

COCCn1c([S+](C)[O-])nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCCC2)c1.C[S+]([O-])c1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCCCCC3)c2)n1CCCO

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.68
MAPK10 P53779 3/20 0.48

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
SCHEMBL5315388 0.97 MAPK14 (0.64) MAPK14MAPK10
SCHEMBL2841223 0.95 MAPK14 (0.75) MAPK14MAPK10
SCHEMBL2842835 0.95 MAPK14 (0.75) MAPK14MAPK10
SCHEMBL2846010 0.95 MAPK14 (0.59) MAPK14MAPK10
SCHEMBL2843804 0.95 MAPK14 (0.59) MAPK14MAPK10
SCHEMBL2846681 0.94 MAPK14 (0.57) MAPK14MAPK10
SCHEMBL2840659 0.94 MAPK14 (0.73) MAPK14MAPK10
SCHEMBL2845912 0.93 MAPK14 (0.68) MAPK14MAPK10
SCHEMBL2849199 0.93 MAPK14 (0.68) MAPK14MAPK10
SCHEMBL2843806 0.92 MAPK14 (0.67) MAPK14MAPK10

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
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP claimed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 WO claimed