SCHEMBL11172467

SCHEMBL11172467

Fc1ccc(-c2nc(SCCCSc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.74
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
EGFR P00533 1/20 0.54

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
Bromide SCHEMBL11188991 0.98 MAPK14 (0.72) MAPK14PTGS1PTGS2MAPK13MAPK12
SCHEMBL11176876 0.97 MAPK14 (0.74) MAPK14PTGS1PTGS2MAPK13MAPK12
Bromide SCHEMBL11207541 0.95 MAPK14 (0.72) MAPK14PTGS1PTGS2MAPK13MAPK12
SCHEMBL10373989 0.94 MAPK14 (0.72) MAPK14PTGS1PTGS2MAPK13MAPK12
Bromide SCHEMBL11187122 0.92 MAPK14 (0.71) MAPK14PTGS1PTGS2MAPK13MAPK12
SCHEMBL10963620 0.88 MAPK14 (0.87) MAPK14PTGS1PTGS2MAPK13MAPK12
SCHEMBL11178195 0.87 MAPK14 (0.64) MAPK14PTGS1PTGS2MAPK13MAPK12
SCHEMBL9215059 0.84 KDM4E (0.64)
SCHEMBL9211133 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8125187 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11EGFR

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
EP-0010361-B1 BIS-IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-04-27 EP disclosed
EP-0010361-A1 Bis-imidazoles, their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1980-04-30 EP disclosed
US-4188397-A ANTIARTHRITIC, ANTIINFLAMMATORY SMITHKLINE CORPORATION (US) 1980-02-12 US disclosed