SCHEMBL9058327

SCHEMBL9058327

COCCN(CCOC)CC1=Cc2cc(S(N)(=O)=O)sc2SN1Cc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.44
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.34

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
SCHEMBL9058135 0.85 CA2 (0.45) CA2CA12CA1CA9CA4
SCHEMBL9118189 0.85 CA2 (0.50) CA2
SCHEMBL9063305 0.85 CA2 (0.50) CA2CA4
SCHEMBL9058792 0.83 CA2 (0.48) CA2CA4
SCHEMBL8950341 0.80 CA2 (0.46) CA2CA12CA1CA9CA4
SCHEMBL9058416 0.79 POLB (0.35)
SCHEMBL9057821 0.77 CA2 (0.48) CA2CA12CA1CA9CA4
SCHEMBL9058163 0.75 CA2 (0.46) CA2CA4
SCHEMBL8950275 0.74 CA2 (0.53) CA2CA12CA1CA9CA4
SCHEMBL9058891 0.70 CA2 (0.38) CA2CA12CA1CA9CA4

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