SCHEMBL5960163

SCHEMBL5960163

CCC(O)(c1cnc(S(=O)(=O)c2ccc3c(c2)OCC=C3c2ccc(F)cc2)s1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ SCN9A Q15858 12/20 0.36
▸ SCN5A Q14524 4/20 0.36
▸ MLYCD O95822 1/20 0.32
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL5960129 0.84 ALOX5 (0.35) ALOX5
SCHEMBL2975435 0.63 ALOX5 (0.51) ALOX5MLYCD
SCHEMBL2981087 0.63 ALOX5 (0.58) ALOX5MLYCD
SCHEMBL5586496 0.61 PIM1 (0.35) ALOX5
SCHEMBL2989905 0.61 ALOX5 (0.39) ALOX5MLYCD
SCHEMBL5960212 0.60 MLYCD (0.36) MLYCD
SCHEMBL2979312 0.59 ALOX5 (0.41) ALOX5MLYCD
SCHEMBL2989755 0.59 MLYCD (0.51) ALOX5MLYCD
SCHEMBL5005164 0.58 MIF (0.42) SCN9AMLYCDPTGS1PTGS2
SCHEMBL7810674 0.54 ALOX5 (0.51) ALOX5

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-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 — — EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 — — WO disclosed
Send feedback