SCHEMBL8950226

SCHEMBL8950226

COc1cccc(N2C(CO)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.71
CA4 P22748 3/20 0.71
CA1 P00915 6/20 0.37
CA9 Q16790 6/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
STS P08842 1/20 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
SCHEMBL8950227 0.85 CA2 (0.65) CA2CA4CA1CA9CA12
SCHEMBL29941334 0.84 CA2 (1.00) CA2CA4ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8950360 0.83 CA2 (0.98) CA2CA4ALDH1A1HPGDHSD17B10
SCHEMBL8950266 0.80 CA2 (0.46) CA2CA4ALDH1A1HPGDALOX15
SCHEMBL9057333 0.78 CA2 (0.47) CA2CA4CA1CA9ALDH1A1
SCHEMBL8950230 0.76 CA2 (0.45) CA2CA4CA1CA9CA12
Hydrochloric Acid SCHEMBL8950276 0.75 CA2 (0.53) CA2CA4CA1CA9CA12
SCHEMBL8950476 0.75 CA2 (0.45) CA2CA4CA1CA9CA12
SCHEMBL8950275 0.74 CA2 (0.53) CA2CA4CA1CA9CA12
Hydrochloric Acid SCHEMBL8950342 0.74 CA2 (0.84) 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-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed