SCHEMBL8637336

SCHEMBL8637336

NS(=O)(=O)c1ccccc1-n1ncc(C(F)(F)F)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS2 P35354 9/20 0.40
PTGS1 P23219 8/20 0.40
NR3C2 P08235 1/20 0.39
F10 P00742 2/20 0.38
NR3C1 P04150 5/20 0.38
PGR P06401 2/20 0.38
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8693265 0.85 PTGS2 (0.52) NPSR1LMNACA12CA1CA2
SCHEMBL8981360 0.78 PTGS2 (0.58) CA1CA2CA9PTGS2PTGS1
SCHEMBL8688579 0.77 PTGS2 (0.64) NPSR1LMNACA12CA1CA2
SCHEMBL8639077 0.77 PTGS2 (0.53) CA9PTGS2PTGS1F10
SCHEMBL8638997 0.76 PTGS2 (0.52) NPSR1LMNACA12CA1CA2
SCHEMBL8639255 0.75 PTGS2 (0.54) NPSR1LMNACA12CA1CA2
SCHEMBL7059925 0.75 PTGS2 (0.64) NPSR1LMNACA12CA1CA2
SCHEMBL5694290 0.74 PTGS2 (0.65) LMNACA12CA1CA2CA9
SCHEMBL8689254 0.73 PTGS2 (0.52) NPSR1LMNACA12CA1CA2
SCHEMBL8638981 0.73 F10 (0.48) PTGS2PTGS1F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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