SCHEMBL8639323

SCHEMBL8639323

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 7/20 0.51
PDPK1 O15530 6/20 0.50
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47

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
SCHEMBL8644055 0.94 PTGS2 (0.51) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637009 0.91 PTGS2 (0.50) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8643703 0.91 PTGS2 (0.53) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8641096 0.91 PTGS2 (0.57) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8641768 0.91 PTGS2 (0.57) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637765 0.88 PDPK1 (0.50) PTGS2PTGS1PDPK1
SCHEMBL8638993 0.88 PTGS2 (0.54) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8637142 0.87 PTGS2 (0.54) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8640038 0.87 PTGS2 (0.54) PTGS2PTGS1PDPK1RXRANR1H2
SCHEMBL8639798 0.86 PTGS2 (0.66) PTGS2PTGS1PDPK1RXRANR1H2

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 5 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-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