SCHEMBL9058096

SCHEMBL9058096

CCOCCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.47
CA4 P22748 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9534530 0.85 CA2 (0.47) CA2CA4CA12CA1CA6
Hydrochloric Acid SCHEMBL9597515 0.83 CA2 (0.53) CA2CA4CA12CA1CA6
Hydrochloric Acid SCHEMBL9595874 0.82 CA2 (0.48) CA2CA4CA12CA1CA6
SCHEMBL8950315 0.78 CA2 (0.64) CA2CA4CA12CA1CA6
SCHEMBL7509743 0.77 CA2 (0.51) CA2CA4CA12CA1CA6
SCHEMBL7509438 0.77 CA2 (0.45) CA2CA12CA1CA7CA9
SCHEMBL9535478 0.76 CA2 (0.49) CA2CA4
SCHEMBL7510213 0.76 CA2 (0.64) CA2CA4CA12CA1CA6
SCHEMBL4750415 0.76 CA2 (0.64) CA2CA4CA12CA1CA6
SCHEMBL7509681 0.76 CA2 (0.46) CA2CA4CA12CA1CA6

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
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed