SCHEMBL8950419

SCHEMBL8950419

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.52
CA4 P22748 3/20 0.49
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
Hydrochloric Acid SCHEMBL8950431 0.99 CA2 (0.51) CA2CA4CA12CA1CA7
Hydrochloric Acid SCHEMBL8950394 0.86 CA2 (0.46) CA2CA4
Hydrochloric Acid SCHEMBL8950390 0.86 CA2 (0.46) CA2CA4
SCHEMBL8950325 0.84 CA2 (0.38) CA2CA4
SCHEMBL8950393 0.81 KMT2A (0.36) CA2
SCHEMBL9252314 0.79 CA2 (0.51) CA2CA4CA12CA1CA7
SCHEMBL7938911 0.78 CA2 (0.47) CA2CA4CA12CA1CA7
SCHEMBL8950067 0.77 CA2 (0.58) CA2CA4CA12CA1CA7
Hydrochloric Acid SCHEMBL7764015 0.77 CA2 (0.47) CA2CA4CA12CA1CA7
SCHEMBL8950392 0.77 CA2 (0.47) CA2CA4CA12CA1CA7

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-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US claimed