SCHEMBL9436010

SCHEMBL9436010

CN(C)c1ccc(-c2nc(S)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.64
NOX1 Q9Y5S8 1/20 0.54
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
MAPK14 Q16539 8/20 0.46
GCGR P47871 7/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
FRK P42685 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
GSK3B P49841 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PTK6 Q13882 1/20 0.46
BRAF P15056 1/20 0.45
TCF4 P15884 1/20 0.45
CTNNB1 P35222 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
SCHEMBL9347715 0.92 NOX1 (0.60) ALOX5NOX1TCF4CTNNB1KDM4E
SCHEMBL5435606 0.87 MAPK14 (0.56) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL11382998 0.87 NOX1 (0.71) ALOX5NOX1MAPK13MAPK12MAPK11
SCHEMBL5622957 0.84 ALOX5 (0.87) ALOX5NOX1MAPK13MAPK12MAPK11
SCHEMBL5098384 0.80 MAPK14 (0.69) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL4285506 0.80 MAPK14 (0.69) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL4551864 0.78 ALOX5 (1.00) ALOX5NOX1MAPK13MAPK12MAPK11
SCHEMBL7083925 0.77 PTGS2 (0.73) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL9666048 0.74 MAPK13 (0.49) NOX1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11714741 0.73 ALOX5 (0.46) ALOX5NOX1MAPK14CLK4TCF4

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-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed