SCHEMBL8473263

SCHEMBL8473263

NS(=O)(=O)c1cc(CO)cc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.52
CA9 Q16790 15/20 0.52
CA1 P00915 12/20 0.52
CA12 O43570 4/20 0.52
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PTGES2 Q9H7Z7 2/20 0.48
IKBKB O14920 2/20 0.46
CHUK O15111 1/20 0.46

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
Biphenyl SCHEMBL2902198 0.83 PTGES2 (0.54) CA2CA9CA1CA12CA14
SCHEMBL12294066 0.78 TSHR (0.55)
SCHEMBL21973519 0.78 TSHR (0.55)
SCHEMBL8481494 0.77 CA2 (0.57) CA2CA9CA1CA12CA14
SCHEMBL7188667 0.77 PTGES2 (0.64) CA2CA9CA1CA12CA14
SCHEMBL6168875 0.77 CA2 (0.68) CA2CA9CA1CA12CA14
SCHEMBL8475151 0.74 CA2 (0.57) CA2CA9CA1CA12CA14
SCHEMBL5698111 0.73 TSHR (0.60)
SCHEMBL185757 0.73 CA2 (0.61) CA2CA9CA1CA12CA14
SCHEMBL3949466 0.73 CA2 (0.53) CA2CA9CA1CA12CA14

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
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed