SCHEMBL3816280

SCHEMBL3816280

N#CN1CC[C@@H](NS(=O)(=O)c2cccc3nsnc23)C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.58
UCHL1 P09936 11/20 0.58
CTSB P07858 6/20 0.56
CTSK P43235 6/20 0.56
CTSS P25774 5/20 0.56
CTSC P53634 4/20 0.56
CTSL P07711 4/20 0.56
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL23052040 0.81 ALDH1A1 (0.58) ALDH1A1
SCHEMBL3806662 0.79 ALDH1A1 (0.62) USP30UCHL1CTSBCTSKCTSS
SCHEMBL23052297 0.79 ALDH1A1 (0.55) ALDH1A1
SCHEMBL3813822 0.76 USP30 (0.67) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3815942 0.76 USP30 (0.71) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3810609 0.76 CTSB (0.74) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3811344 0.76 USP30 (0.70) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3806556 0.76 USP30 (0.70) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3806187 0.76 CTSB (0.74) USP30UCHL1CTSBCTSKCTSS
SCHEMBL3806512 0.76 USP30 (0.70) USP30UCHL1CTSBCTSKCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009129370-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (US) 2009-10-22 WO claimed
WO-2009129370-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (US) 2009-10-22 WO disclosed