Acetazolamide

Acetazolamide

SCHEMBL9748691

CC(=O)Nc1nnc(S(N)(=O)=O)s1.Nc1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CA1CA12CA2CA4

The experimentally established mechanism targets of Acetazolamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 16/20 0.76
CA1 known ✓ P00915 15/20 0.76
CA4 known ✓ P22748 7/20 0.76
CA12 known ✓ O43570 5/20 0.76
CA9 Q16790 10/20 0.76
CA7 P43166 5/20 0.76
CA5A P35218 4/20 0.76
CA5B Q9Y2D0 4/20 0.76
CA3 P07451 3/20 0.76
CA6 P23280 3/20 0.76
CA14 Q9ULX7 3/20 0.76
CA13 Q8N1Q1 2/20 0.76
MEN1 O00255 1/20 0.76
CA11 O75493 1/20 0.76
THRB P10828 1/20 0.76
BLM P54132 1/20 0.76
KMT2A Q03164 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
TDP1 Q9NUW8 1/20 0.76

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
Acetazolamide SCHEMBL15312887 0.88 CA1 (0.74) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL20553201 0.87 CA1 (0.93) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL2557036 0.87 CA1 (1.00) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL23219 0.87 CA1 (1.00) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL2845106 0.85 CA1 (0.97) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL11301585 0.85 CA1 (0.97) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL15513954 0.85 CA1 (0.97) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL30094028 0.85 CA1 (0.97) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL1998362 0.85 CA1 (0.97) CA2CA1CA9CA4CA7
Acetazolamide SCHEMBL40812 0.85 CA1 (0.97) CA2CA1CA9CA4CA7

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-0201057-B1 BONE TARGETED INHIBITORS OF CARBONIC ANHYDRASE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-02 EP disclosed