SCHEMBL6999628

SCHEMBL6999628

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2sccc2F)C1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.44
PTGS1 P23219 13/20 0.44
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7000936 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6997975 0.87 PTGS2 (0.41) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL6992672 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6993821 0.80 PTGS2 (0.50) PTGS2PTGS1CA2
SCHEMBL6998585 0.79 PTGS2 (0.39) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL6993233 0.79 PTGS2 (0.49) PTGS2PTGS1KDM4EMEN1PKM
SCHEMBL7000143 0.79 PTGS2 (0.46) PTGS2PTGS1CA12CA2CA9
SCHEMBL6999625 0.78 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL7004184 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995948 0.78 PTGS2 (0.39) PTGS2PTGS1KDM4EMEN1PKM

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
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed