SCHEMBL7651917

SCHEMBL7651917

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2ccccc2N)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PTGS2 P35354 4/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTGS1 P23219 2/20 0.34
F10 P00742 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL6995613 0.90 PTGS2 (0.40) BRAFALOX5APFEN1PTGS2PTGS1
SCHEMBL7001355 0.87 PTGS2 (0.39) BRAFPTGS2PTGS1
SCHEMBL6992554 0.85 PTGS2 (0.40) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6994262 0.85 KIF11 (0.37) BRAFPTGS2PDE3BPDE3APTGS1
SCHEMBL7001761 0.84 L3MBTL1 (0.38) BRAFPTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6997793 0.82 PTGS2 (0.40) BRAFALOX5APFEN1PTGS2PTGS1
SCHEMBL6994072 0.82 BRAF (0.42) BRAFPTGS2PTGS1
SCHEMBL7002132 0.82 BRAF (0.42) BRAFALOX5APFEN1PTGS2PDE3B
SCHEMBL7002292 0.82 PTGS2 (0.39) BRAFPTGS2PTGS1PIK3CDPIK3CA
SCHEMBL6998609 0.82 PTGS2 (0.43) BRAFPTGS2PTGS1PIK3CDPIK3CA

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-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed