SCHEMBL8638989

SCHEMBL8638989

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1cc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.42
PTGS1 P23219 7/20 0.42
RXRA P19793 3/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
PDPK1 O15530 3/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL8643712 0.92 PTGS2 (0.41) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641607 0.89 PDPK1 (0.45) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641739 0.88 PTGS2 (0.54) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8639321 0.88 PTGS2 (0.40) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8643700 0.87 PTGS2 (0.42) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8644053 0.86 PTGS2 (0.41) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637137 0.86 RXRA (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637076 0.85 PTGS2 (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8635926 0.85 PTGS2 (0.53) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637006 0.84 PTGS2 (0.39) PTGS2PTGS1RXRANR1H2NR1H3

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
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed