SCHEMBL9514837

SCHEMBL9514837

NS(=O)(=O)c1cc(S(N)(=O)=O)c(OCCO)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.47
CA2 P00918 18/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 7/20 0.47
CA3 P07451 7/20 0.47
CA4 P22748 7/20 0.47
CA6 P23280 7/20 0.47
CA5A P35218 7/20 0.47
CA7 P43166 7/20 0.47
CA14 Q9ULX7 7/20 0.47
CA5B Q9Y2D0 7/20 0.47
CA13 Q8N1Q1 6/20 0.44
CISD1 Q9NZ45 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9516814 0.75 CA2 (0.51) CA1CA2CA9CA12CA3
SCHEMBL11069560 0.72 ALDH1A1 (0.44)
SCHEMBL9701011 0.72 CA2 (0.51) CA1CA2CA9CA12CA3
SCHEMBL7595797 0.72 INPPL1 (0.34) CA1CA2CA9CA12CA4
SCHEMBL10757156 0.71 IDO1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL6932679 0.70 GAA (0.33) CA1CA2CA4SMN1; SMN2
Sulfamate SCHEMBL9451534 0.70 TP53 (0.52) SMN1; SMN2
SCHEMBL5014186 0.70 CA1 (0.70) CA1CA2CA9CA12CA3
SCHEMBL6932671 0.69 DUSP5 (0.39) SMN1; SMN2
SCHEMBL941210 0.69 MMP2 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539527-A1 ANALOGS OF CARBONIC ANHYDRASE INHIBITORS AND THEIR USE AS TOPICAL IOP INHIBITORS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-05 EP disclosed
US-5157044-A Treating glaucoma UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-10-20 US disclosed
US-5095026-A PRODRUGS OF CARBONIC ANHYDRASE INHIBITORS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-03-10 US disclosed
WO-1992000287-A2 ANALOGS OF CARBONIC ANHYDRASE INHIBITORS AND THEIR USE AS TOPICAL IOP INHIBITORS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-01-09 WO disclosed