SCHEMBL9252314

SCHEMBL9252314

NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(CCN1CCOCC1)N=C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.51
CA4 P22748 3/20 0.48
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.33

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
SCHEMBL8950419 0.79 CA2 (0.52) CA2CA4CA1CA9CA12
SCHEMBL9247300 0.78 CA2 (0.49) CA2CA4CA1CA9CA12
Hydrochloric Acid SCHEMBL8950431 0.78 CA2 (0.51) CA2CA4CA1CA9CA12
SCHEMBL8950067 0.76 CA2 (0.58) CA2CA4CA1CA9CA12
SCHEMBL9251357 0.75 CA2 (0.39) CA2CA4CA1CA9CA12
SCHEMBL8950571 0.75 CA2 (0.65) CA2CA4CA1CA9CA12
Hydrochloric Acid SCHEMBL8950440 0.74 CA2 (0.64) CA2CA4CA1CA9CA12
SCHEMBL8950408 0.72 CA2 (0.62) CA2CA4CA1CA9CA12
SCHEMBL8950256 0.72 CA2 (0.64) CA2CA4
Hydrochloric Acid SCHEMBL8950254 0.72 CA2 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464831-A Treatment of glaucoma ALCON LABORATORIES, INC. (US) 1995-11-07 US disclosed