SCHEMBL9265016

SCHEMBL9265016

CC(C)CN[C@@H]1CN(c2cccc(O)c2)S(=O)(=O)c2cc(S(N)(=O)=O)sc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.43
CA4 P22748 3/20 0.39
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
LMNA P02545 2/20 0.33
CA3 P07451 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 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
SCHEMBL9262639 0.91 CA2 (0.44) CA2CA4CA1CA12CA6
SCHEMBL9263188 0.90 CA2 (0.45) CA2CA4CA1CA12CA6
SCHEMBL9265159 0.89 CA2 (0.43) CA2CA4CA1CA12CA6
SCHEMBL9262093 0.88 CA2 (0.51) CA2CA4CA1CA12CA6
SCHEMBL9264301 0.80 CA2 (0.46) CA2CA4CA1CA12CA6
SCHEMBL9263901 0.79 CA2 (0.52) CA2CA4CA1CA12CA6
SCHEMBL9261563 0.77 CA2 (0.50) CA2CA4CA1CA12CA6
SCHEMBL9267013 0.77 CA2 (0.51) CA2CA4CA1CA12CA6
SCHEMBL8704983 0.77 CA2 (0.59) CA2CA4CA1CA12CA6
SCHEMBL8714833 0.77 CA2 (0.59) CA2CA4CA1CA12CA6

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-5378703-A FOR CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1995-01-03 US claimed