SCHEMBL8950227

SCHEMBL8950227

C#CCNCC1=Cc2cc(S(N)(=O)=O)sc2S(=O)(=O)N1c1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.65
CA4 P22748 4/20 0.65
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA9 Q16790 5/20 0.31
PKM P14618 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GUSB P08236 1/20 0.31
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
SLC6A2 P23975 1/20 0.30

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 SCHEMBL8950276 0.91 CA2 (0.53) CA2CA4CA12CA1CA9
Hydrochloric Acid SCHEMBL8950237 0.88 CA2 (0.62) CA2CA4
Hydrochloric Acid SCHEMBL8950563 0.87 CA2 (0.49) CA2CA4CA12CA1CA9
SCHEMBL8950226 0.85 CA2 (0.71) CA2CA4CA12CA1CA9
SCHEMBL9057077 0.80 CA2 (0.44) CA2CA4CA12CA1CA9
SCHEMBL29941334 0.79 CA2 (1.00) CA2CA4LMNA
Hydrochloric Acid SCHEMBL8950360 0.78 CA2 (0.98) CA2CA4LMNA
SCHEMBL8950599 0.76 CA2 (0.38) CA2CA4CA12CA1CA9
SCHEMBL8950412 0.76 CA2 (0.38) CA2CA4CA12CA1CA9
SCHEMBL9057426 0.73 CA2 (0.37) CA2CA4CA12CA1CA9

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