SCHEMBL6744598

SCHEMBL6744598

Cc1ncccc1C1=CCC=C1c1cc(F)c(S(C)(=O)=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GLO1 Q04760 1/20 0.35
FEN1 P39748 8/20 0.34
ALOX5AP P20292 7/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
ABL1 P00519 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIA2 P42262 1/20 0.33
CASP1 P29466 1/20 0.33
TDO2 P48775 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
SCHEMBL6747283 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6749801 0.80 NR1H2 (0.37) PTGS2PTGS1PDE3BPDE3AMKNK1
SCHEMBL6745120 0.79 ACLY (0.35) PTGS2PTGS1CASP1
SCHEMBL6746753 0.78 PTGS2 (0.45) PTGS2PTGS1CASP1
SCHEMBL6746288 0.78 CASP1 (0.35) PTGS2CASP1
SCHEMBL6745114 0.77 SDHB (0.38) PTGS2PTGS1PDE3BPDE3ACASP1
SCHEMBL6746730 0.77 PTGS2 (0.38) PTGS2CASP1
SCHEMBL6744935 0.76 PTGS2 (0.36) PTGS2PTGS1CASP1
SCHEMBL6743712 0.76 PTGS2 (0.44) PTGS2PTGS1CYP2C19
SCHEMBL6750004 0.76 PTGS2 (0.46) PTGS2PTGS1CASP1

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