SCHEMBL6999710

SCHEMBL6999710

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccncc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.49
CA1 P00915 5/20 0.49
PTGS2 P35354 9/20 0.46
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
HASPIN Q8TF76 2/20 0.40
CDK19 Q9BWU1 2/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL7002356 0.88 PTGS2 (0.51) PTGS2
SCHEMBL6999688 0.88 PTGS2 (0.60) CA2CA1PTGS2CA9CA12
SCHEMBL7002002 0.86 PTGS2 (0.56) CA2CA1PTGS2CA9CA12
SCHEMBL6998878 0.85 PTGS2 (0.57) CA2CA1PTGS2CA9CA12
SCHEMBL7000106 0.85 CA2 (0.53) CA2CA1PTGS2CA9CA12
SCHEMBL7003386 0.85 CA2 (0.49) CA2CA1PTGS2CA9CA12
SCHEMBL6992672 0.85 PTGS2 (0.51) PTGS2
SCHEMBL6994786 0.85 CA2 (0.45) CA2CA1PTGS2CA9CA12
SCHEMBL7001899 0.85 CA2 (0.57) CA2CA1PTGS2CA9CA12
SCHEMBL15000221 0.83 RAB9A (0.40) PTGS2

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 4 patents. 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
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed