SCHEMBL10965124

SCHEMBL10965124

[O-][S+](CCO)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
MAPK13 O15264 8/20 0.43
MAPK12 P53778 8/20 0.43
MAPK11 Q15759 8/20 0.43
GCGR P47871 7/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
FRK P42685 2/20 0.43
MAPK9 P45984 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
GSK3B P49841 2/20 0.43
PTK6 Q13882 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PRKD2 Q9BZL6 1/20 0.43
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
ALOX5 P09917 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL10963408 0.86 KDM4E (0.40) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL10965783 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL10964800 0.83 NOX1 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL10802695 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL14712904 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL5435606 0.69 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL10832361 0.69 MAPT (0.54) MAPK14PTGS2KDM4EALDH1A1LMNA
SCHEMBL11253485 0.69 MAPT (0.54) MAPK14PTGS1PTGS2KDM4EALDH1A1
SCHEMBL10963620 0.69 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL10967084 0.69 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005545-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1985-09-18 EP claimed
US-4355039-A Antiinflammatory-4,5-diaryl-2-substituted-thio-imidazoles and their corresponding sulfoxides and sulfones SCHERING, AKTIENGESELLSCHAFT (DE) 1982-10-19 US claimed
EP-0005545-A2 Imidazole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1979-11-28 EP claimed
EP-0005545-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1985-09-18 EP disclosed
US-4440776-A ANTIARTHRITIC AGENTS; ANTIALLERGENS; BRONCHODILATOR AGENTS; SKIN DORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
US-4355039-A Antiinflammatory-4,5-diaryl-2-substituted-thio-imidazoles and their corresponding sulfoxides and sulfones SCHERING, AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
US-4269847-A ANTIALLERGENS; DERIVATIVES OF 4,5-BIS/PHENYL-2-MERCAPTO-, THIO-, S SCHERING AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed
EP-0005545-A2 Imidazole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1979-11-28 EP disclosed