SCHEMBL11267958

SCHEMBL11267958

Fc1ccc(-c2nc(S)[nH]c2-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.50
MAPK13 O15264 13/20 0.50
MAPK12 P53778 13/20 0.50
MAPK11 Q15759 13/20 0.50
GCGR P47871 12/20 0.50
ALOX5 P09917 4/20 0.50
CSNK1D P48730 4/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
FRK P42685 2/20 0.48
MAPK9 P45984 2/20 0.48
CSNK1A1 P48729 2/20 0.48
GSK3B P49841 2/20 0.48
PTK6 Q13882 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CSNK1E P49674 3/20 0.45
CYP19A1 P11511 1/20 0.45
BRAF P15056 2/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL11481381 0.88 NPY5R (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5435606 0.83 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4285506 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5098384 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9741082 0.82 NPY5R (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL11264987 0.79 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL15075635 0.78 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1116552 0.74 CYP11B1 (0.54) CYP19A1CYP11B1KDM4EALDH1A1LMNA
SCHEMBL9646725 0.74 KDM4E (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL11272961 0.74 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008755-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-NITROIMIDAZOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-21 EP disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed