SCHEMBL3818016

SCHEMBL3818016

N#CN1CCC(NS(=O)(=O)c2cccc(F)c2)C1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.74
CTSK P43235 5/20 0.74
CTSS P25774 4/20 0.74
CTSC P53634 3/20 0.74
CTSL P07711 3/20 0.74
USP30 Q70CQ3 16/20 0.73
UCHL1 P09936 14/20 0.73

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
SCHEMBL3815699 1.00 CTSB (0.74) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3820242 0.88 UCHL1 (0.79) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3811026 0.88 UCHL1 (0.79) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3813897 0.85 CTSB (0.74) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3814037 0.85 CTSB (0.74) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3814031 0.85 CTSB (0.74) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3810898 0.85 CTSK (1.00) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3808642 0.85 CTSK (1.00) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3811242 0.85 CTSB (0.74) CTSBCTSKCTSSCTSCCTSL
SCHEMBL3808366 0.85 CTSB (0.70) CTSBCTSKCTSSCTSCCTSL

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
WO-2009129371-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed