SCHEMBL6749801

SCHEMBL6749801

Cc1ncccc1C1=CCC=C1c1cc(F)c(S(C)(=O)=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
GRM4 Q14833 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
COMT P21964 1/20 0.34
TDO2 P48775 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL6747146 0.81 PTGS2 (0.40) NR1H2NR1H3PTGS2PTGS1PDE3B
SCHEMBL6745201 0.80 ACLY (0.43) NR1H2NR1H3PTGS2ALOX5APFEN1
SCHEMBL6744598 0.80 PTGS2 (0.39) PTGS2PTGS1PDE3BPDE3AALOX5AP
SCHEMBL6744532 0.79 CCR1 (0.35) NR1H2NR1H3PTGS2ALOX5APFEN1
SCHEMBL6743170 0.79 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6746680 0.79 NR1H2 (0.36) NR1H2NR1H3PTGS2PTGS1PDE3B
SCHEMBL6749846 0.77 PTGS2 (0.36) NR1H2NR1H3PTGS2PTGS1
SCHEMBL6746727 0.77 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6746028 0.77 PTGS2 (0.49) NR1H2NR1H3PTGS2PTGS1
SCHEMBL6746854 0.77 PTGS2 (0.49) NR1H2NR1H3PTGS2PTGS1PDE3B

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