SCHEMBL28043053

SCHEMBL28043053

NCCCc1c[c]ccc1S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL28043042 0.75 CA2 (0.45) CA2CA12CA1CA9CA4
SCHEMBL5199952 0.71 CA2 (0.34) CA2CA12CA1CA9CA4
SCHEMBL6671590 0.70 CA1 (0.44) CA2CA12CA1CA9CA4
SCHEMBL3807203 0.69 CA2 (0.41) CA2CA12CA1CA9CA4
SCHEMBL3805419 0.69 CA2 (0.50) CA2CA12CA1CA9CA4
SCHEMBL28043026 0.68 CA1 (0.41) CA2CA12CA1CA9CA4
SCHEMBL4574416 0.67 CA2 (0.34) CA2CA12CA1CA9CA4
SCHEMBL6290698 0.67 PDIA6 (0.40) CA2CA12CA1CA9CA4
SCHEMBL28043283 0.67
SCHEMBL27993136 0.66 PSIP1 (0.39)

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
CN-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed