SCHEMBL31670544

SCHEMBL31670544

NS(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 1.00
▸ CA2 P00918 12/20 1.00
▸ CA6 P23280 12/20 1.00
▸ CA7 P43166 12/20 1.00
▸ CA5B Q9Y2D0 12/20 1.00
▸ CA12 O43570 11/20 1.00
▸ CA9 Q16790 10/20 1.00
▸ CA14 Q9ULX7 10/20 1.00
▸ CA3 P07451 9/20 1.00
▸ CA13 Q8N1Q1 9/20 1.00
▸ CISD1 Q9NZ45 8/20 1.00
▸ CA4 P22748 6/20 1.00
▸ MEN1 O00255 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ CA5A P35218 9/20 0.70

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
SCHEMBL18423991 0.86 CA1 (0.76) CA1CA2CA6CA7CA5B
SCHEMBL18425577 0.83 CA1 (1.00) CA1CA2CA6CA7CA5B
SCHEMBL18424049 0.81 CA1 (1.00) CA1CA2CA6CA7CA5B
SCHEMBL18424558 0.80 CA1 (1.00) CA1CA2CA6CA7CA5B
SCHEMBL18425835 0.80 CA1 (1.00) CA1CA2CA6CA7CA5B
SCHEMBL18424179 0.80 CA1 (1.00) CA1CA2CA6CA7CA5B
SCHEMBL2773999 0.79 CA1 (0.65) CA1CA2CA6CA7CA5B
SCHEMBL2776863 0.79 CA1 (0.65) CA1CA2CA6CA7CA5B
SCHEMBL2776111 0.79 CA1 (0.65) CA1CA2CA6CA7CA5B
SCHEMBL2777088 0.78 CA1 (0.63) CA1CA2CA6CA7CA5B

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
Send feedback