SCHEMBL9058207

SCHEMBL9058207

NS(=O)(=O)c1cc2c(s1)SN(CC=CCN1CCOCC1)C=C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.44
CA4 P22748 2/20 0.36
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32

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
SCHEMBL9058203 1.00 CA2 (0.44) CA2CA4PSEN1PSEN2APH1B
SCHEMBL9058827 0.86 CA2 (0.47) CA2CA4
Hydrochloric Acid SCHEMBL8950394 0.77 CA2 (0.46) CA2CA4
Hydrochloric Acid SCHEMBL8950390 0.77 CA2 (0.46) CA2CA4
SCHEMBL9057829 0.70 KDM1A (0.37) CA2
SCHEMBL9115575 0.70 CA2 (0.46) CA2CA4
SCHEMBL9057893 0.70 CA2 (0.50) CA2CA4
SCHEMBL9117323 0.68 CA2 (0.44) CA2CA4
SCHEMBL9058838 0.68 CA2 (0.49) CA2CA4
SCHEMBL9058849 0.68 CA2 (0.39) 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 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