SCHEMBL8637577

SCHEMBL8637577

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.67
PTGS1 P23219 5/20 0.67
RXRA P19793 2/20 0.54
NR1H2 P55055 2/20 0.54
NR1H3 Q13133 2/20 0.54
PDPK1 O15530 8/20 0.53

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
SCHEMBL8688677 0.91 PTGS2 (0.56) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8692177 0.90 PTGS2 (0.55) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637085 0.90 PTGS2 (0.55) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8637142 0.90 PTGS2 (0.54) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8639798 0.89 PTGS2 (0.66) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8689187 0.88 PTGS2 (0.71) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8727376 0.88 PTGS2 (0.60) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8730016 0.88 PTGS2 (0.56) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8689327 0.88 PTGS2 (0.57) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641046 0.87 PTGS2 (0.64) 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 6 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 claimed
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-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed