SCHEMBL4953176

SCHEMBL4953176

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 3/20 0.50
CA2 P00918 8/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 7/20 0.43
CA1 P00915 6/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ACLY P53396 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4950817 0.88 PTGES2 (0.42) PTGS2PTGS1CA2CA9CA12
SCHEMBL4953413 0.85 PTGS2 (0.48) PTGS2CA2CA9ACLY
SCHEMBL4951076 0.82 PTGS2 (0.36) PTGS2ACLY
SCHEMBL14124478 0.81 GRIA4 (0.48) PTGS2PTGS1ACLY
SCHEMBL4951303 0.80 GRIA2 (0.49) PTGS1CA2CA9CA12CA1
SCHEMBL4953693 0.80 GRIA4 (0.49) PTGS2PTGS1CA2CA9CA12
SCHEMBL4948474 0.79 RORC (0.39) CA2
SCHEMBL5141157 0.78 PTGS2 (0.37) PTGS2PTGS1CA2CA9ACLY
SCHEMBL4951358 0.77 ABCC4 (0.41) PTGS1ALDH1A1
SCHEMBL27724213 0.76 ACLY (0.42) PTGS2CA2CA9ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed