SCHEMBL9390106

SCHEMBL9390106

CCC(CC=O)C(=O)Nc1nnc(S(N)(=O)=O)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.69
▸ CA2 P00918 13/20 0.69
▸ CA4 P22748 8/20 0.61
▸ CA9 Q16790 8/20 0.61
▸ CA12 O43570 4/20 0.55
▸ CA3 P07451 4/20 0.55
▸ CA6 P23280 4/20 0.55
▸ CA5A P35218 4/20 0.55
▸ CA7 P43166 4/20 0.55
▸ CA13 Q8N1Q1 4/20 0.55
▸ CA14 Q9ULX7 4/20 0.55
▸ CA5B Q9Y2D0 4/20 0.55
▸ THRB P10828 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CA11 O75493 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ TP53 P04637 1/20 0.53

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
SCHEMBL13454384 0.82 CA2 (1.00) CA1CA2CA4CA9CA12
SCHEMBL11049891 0.77 CA1 (1.00) CA1CA2CA4CA9CA12
SCHEMBL9403512 0.76 CA1 (0.80) CA1CA2CA4CA9CA12
SCHEMBL19383010 0.76 CA1 (0.80) CA1CA2CA4CA9CA12
SCHEMBL19382585 0.75 CA1 (0.74) CA1CA2CA4CA9CA12
Bromide SCHEMBL9403550 0.74 CA1 (0.78) CA1CA2CA4CA9CA12
Propazolamide SCHEMBL1817525 0.74 CA1 (1.00) CA1CA2CA4CA9CA12
SCHEMBL19382598 0.73 CA1 (0.70) CA1CA2CA4CA9CA12
SCHEMBL9674316 0.72 CA1 (0.74) CA1CA2CA4CA9CA12
Acetazolamide SCHEMBL23219 0.72 CA1 (1.00) CA1CA2CA4CA9CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594602-A1 TOPICALLY ACTIVE OCULAR THIADIAZOLE SULFONAMIDE CARBONIC ANHYDRASE INHIBITORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-05-04 — — EP disclosed
EP-0594602-A4 TOPICALLY ACTIVE OCULAR THIADIAZOLE SULFONAMIDE CARBONIC ANHYDRASE INHIBITORS. RES CORP TECHNOLOGIES INC (US) 1993-06-16 — — EP disclosed
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