SCHEMBL25706906

SCHEMBL25706906

C[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)C(F)F)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.35
▸ CA2 P00918 6/20 0.35
▸ CA9 Q16790 6/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL31319099 1.00 CA1 (0.35) CA1CA2CA9CA12CA3
SCHEMBL25313255 0.91 LPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL24133485 0.91 LPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL25288246 0.91 LPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL30408224 0.91 LPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL31319039 0.90 SLC6A4 (0.36) CA1CA2CA9CA12CA3
SCHEMBL25706771 0.90 SLC6A4 (0.36) CA1CA2CA9CA12CA3
SCHEMBL31319041 0.89 CA1 (0.37) CA1CA2CA9CA12CA3
SCHEMBL25706852 0.89 CA1 (0.37) CA1CA2CA9CA12CA3
SCHEMBL31319010 0.85 CYP19A1 (0.41) CA1CA2CA9CA12CA3

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
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
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