SCHEMBL31670546

SCHEMBL31670546

NS(=O)(=O)c1cc(C(=O)NCCCO)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.77
▸ CA2 P00918 18/20 0.77
▸ CA12 O43570 6/20 0.66
▸ CA3 P07451 6/20 0.66
▸ CA6 P23280 6/20 0.66
▸ CA5A P35218 6/20 0.66
▸ CA7 P43166 6/20 0.66
▸ CA9 Q16790 6/20 0.66
▸ CA13 Q8N1Q1 6/20 0.66
▸ CA14 Q9ULX7 6/20 0.66
▸ CA5B Q9Y2D0 6/20 0.66
▸ CA4 P22748 4/20 0.66
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ OPRD1 P41143 1/20 0.55

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
SCHEMBL31670539 0.92 CA1 (0.76) CA1CA2CA12CA3CA6
SCHEMBL31670533 0.88 CA2 (0.75) CA1CA2CA12CA3CA6
SCHEMBL6360747 0.85 CA1 (0.74) CA1CA2CA12CA3CA6
SCHEMBL31670540 0.83 CA1 (0.70) CA1CA2CA12CA3CA6
SCHEMBL13687209 0.82 CA1 (0.72) CA1CA2OPRM1OPRD1
SCHEMBL6289503 0.81 HPGD (0.81) POLBHPGDHTT
SCHEMBL1272484 0.81 CA1 (0.71) CA1CA2
SCHEMBL18425354 0.80 CA1 (1.00) CA1CA2CA12CA3CA6
SCHEMBL941311 0.78 CA2 (0.64) CA1CA2CA12CA3CA6
SCHEMBL15881104 0.78 CA1 (0.61) CA1CA2POLBHPGDHTT

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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