SCHEMBL9058019

SCHEMBL9058019

CCCN1Sc2sc(S(N)(=O)=O)cc2C=C1CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.47
CA4 P22748 2/20 0.47
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL9058838 0.92 CA2 (0.49) CA2CA4
SCHEMBL9058281 0.90 CA2 (0.49) CA2CA4CA1CA9
SCHEMBL9057348 0.89 CA2 (0.49) CA2CA4CA12CA1CA7
SCHEMBL9057291 0.87 CA2 (0.48) CA2CA4CA12CA1CA7
SCHEMBL9057893 0.87 CA2 (0.50) CA2CA4CA12CA1CA7
SCHEMBL9058335 0.87 CA2 (0.47) CA2CA4CA1CA9
SCHEMBL9057643 0.87 CA2 (0.47) CA2CA4
SCHEMBL9061894 0.86 CA2 (0.45) CA2CA4
SCHEMBL9057317 0.85 CA2 (0.45) CA2CA4CA1CA9
SCHEMBL9115575 0.84 CA2 (0.46) CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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