SCHEMBL6747309

SCHEMBL6747309

Cc1cc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.47
PTGS1 P23219 6/20 0.40
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GRIN2B Q13224 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6743877 0.91 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6746730 0.90 PTGS2 (0.38) PTGS2
SCHEMBL6750004 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6746746 0.88 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL6746211 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6746358 0.85 KIF11 (0.46) PTGS2PTGS1
SCHEMBL6746753 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6749852 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6745090 0.85 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL6746873 0.84 EPAS1 (0.36) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed