SCHEMBL8658259

SCHEMBL8658259

NS(=O)(=O)c1ccc(C2=C(c3cccnc3)CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.69
CA9 Q16790 2/20 0.69
CA1 P00915 2/20 0.69
CA12 O43570 1/20 0.69
PTGS2 P35354 14/20 0.59
PTGS1 P23219 12/20 0.59
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
DYRK1A Q13627 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL8654024 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8653987 0.83 PTGS2 (0.68) CA2CA9CA1CA12PTGS2
SCHEMBL8653562 0.82 PTGS2 (0.72) CA2CA9CA1CA12PTGS2
SCHEMBL8386227 0.82 CA2 (0.61) CA2CA9CA1CA12PTGS2
SCHEMBL8383922 0.82 PTGS2 (0.64) CA2CA9CA1CA12PTGS2
SCHEMBL8385416 0.82 CA2 (0.64) CA2CA9CA1CA12PTGS2
SCHEMBL214496 0.79 PTGS2 (0.59) CA2CA9CA1CA12PTGS2
SCHEMBL6721929 0.79 PTGS2 (0.50) CA2CA9CA1CA12PTGS2
SCHEMBL6735159 0.78 PTGS2 (0.49) CA2CA9CA1CA12PTGS2
SCHEMBL8651288 0.77 PTGS2 (0.68) CA2CA9CA12PTGS2PTGS1

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
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed