SCHEMBL8950220

SCHEMBL8950220

CC(C)(C)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(C/C=C/CN1CCOCC1)CC2O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
CA4 P22748 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 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
SCHEMBL8950225 1.00 CA2 (0.34) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL9057400 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9057403 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8870138 0.77 CA2 (0.46) CA2CA4CA12CA1CA6
SCHEMBL8950300 0.77 CA2 (0.50) CA2CA4CA12CA1CA6
SCHEMBL8870509 0.76 CA2 (0.37) CA2CA4ALDH1A1CA12CA1
SCHEMBL8950356 0.76 CA2 (0.35) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL8950362 0.76 CA2 (0.35) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL8868900 0.75 CA2 (0.57) CA2CA4CA12CA1CA6
SCHEMBL8950080 0.75 CA2 (0.41) CA2CA4CA12CA1CA6

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