SCHEMBL7741958

SCHEMBL7741958

CCOC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(SC)cc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.53
MAPK13 O15264 6/20 0.53
MAPK12 P53778 6/20 0.53
MAPK11 Q15759 6/20 0.53
ALOX5 P09917 3/20 0.53
GCGR P47871 2/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
LCK P06239 1/20 0.53
RET P07949 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MATK P42679 1/20 0.53
FRK P42685 1/20 0.53
MAPK9 P45984 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK1G2 P78368 1/20 0.53

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
SCHEMBL11338005 0.78 NOX1 (0.49) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8112645 0.75 ALOX5 (0.59) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7090083 0.74 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL9648774 0.74 KDM4E (0.70) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7089146 0.73 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7090769 0.71 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7085449 0.70 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8805296 0.70 PTGS2 (0.56) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL22170123 0.69 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL1388020 0.69 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed