SCHEMBL31670535

SCHEMBL31670535

NS(=O)(=O)c1cc(C(=O)NCCO)ccc1Br

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 17/20 0.63
▸ CA2 P00918 17/20 0.63
▸ CA12 O43570 11/20 0.63
▸ CA9 Q16790 11/20 0.63
▸ CA14 Q9ULX7 11/20 0.63
▸ CA3 P07451 10/20 0.63
▸ CA4 P22748 10/20 0.63
▸ CA6 P23280 10/20 0.63
▸ CA5A P35218 10/20 0.63
▸ CA7 P43166 10/20 0.63
▸ CA13 Q8N1Q1 10/20 0.63
▸ CA5B Q9Y2D0 10/20 0.63
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 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
SCHEMBL31670537 0.85 CA2 (0.66) CA1CA2CA12CA9CA14
SCHEMBL31670539 0.84 CA1 (0.76) CA1CA2CA12CA9CA14
SCHEMBL12553794 0.81 HPGD (0.57) CA1CA2CA12CA9CA14
SCHEMBL18425716 0.78 CA12 (1.00) CA1CA2CA12CA9CA14
SCHEMBL9435241 0.77 HPGD (0.55) CA1CA2CA12CA9CA14
SCHEMBL29115579 0.77 HPGD (0.55) CA1CA2CA12CA9CA14
SCHEMBL13033701 0.76 CA2 (0.91) CA1CA2CA12CA9CA14
SCHEMBL31670546 0.76 CA1 (0.77) CA1CA2CA12CA9CA14
SCHEMBL11596955 0.75 CA1 (0.46) CA1CA2CA12CA9CA14
SCHEMBL31670536 0.74 HTT (0.61) CA1CA2CA12CA9CA14

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-3328833-B1 SELECTIVE INHIBITORS OF CARBONIC ANHYDRASE UNIV VILNIUS (LT) 2025-08-06 — — EP claimed
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