SCHEMBL7067529

SCHEMBL7067529

CS(=O)(=O)Sc1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.75
MAPK14 Q16539 11/20 0.63
MAPK11 Q15759 10/20 0.63
MAPK13 O15264 9/20 0.63
MAPK12 P53778 9/20 0.63
GCGR P47871 8/20 0.63
CSNK1D P48730 5/20 0.63
CSNK1A1 P48729 4/20 0.63
CSNK1E P49674 3/20 0.63
ALDH1A1 P00352 2/20 0.63
CSNK1A1L Q8N752 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PRKD3 O94806 3/20 0.59
MAP4K4 O95819 3/20 0.59
FRK P42685 3/20 0.59
MAPK9 P45984 3/20 0.59
GSK3B P49841 3/20 0.59
PRKD2 Q9BZL6 3/20 0.59
CLK4 Q9HAZ1 2/20 0.59
LCK P06239 2/20 0.59

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
SCHEMBL1387814 0.86 ALOX5 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL6930802 0.84 ALOX5 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL7243804 0.79 ALOX5 (0.79) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL458366 0.78 MAPK14 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL2649482 0.78 MAPK14 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL4336547 0.78 MAPK14 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL9201148 0.78 MAPK14 (1.00) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL2648558 0.78 MAPK14 (0.74) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL6452661 0.77 MAPK14 (0.76) ALOX5MAPK14MAPK11MAPK13MAPK12
SCHEMBL19869017 0.77 MAPK14 (0.69) ALOX5MAPK14MAPK11MAPK13MAPK12

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-0889887-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-06-11 EP claimed
EP-0889887-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP claimed
WO-1997035855-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed