SCHEMBL6580363

SCHEMBL6580363

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
F2 P00734 6/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
F10 P00742 9/20 0.41
PLAU P00749 5/20 0.40
ST14 Q9Y5Y6 4/20 0.40
PLG P00747 3/20 0.40
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL6578319 0.91 CTSK (0.51) CTSKF2CTSLCTSBCTSS
SCHEMBL6578009 0.91 CTSK (0.52) CTSKCTSLCTSBCTSSF10
SCHEMBL6578194 0.89 CTSK (0.56) CTSKCTSLCTSBCTSS
SCHEMBL6584080 0.87 CTSK (0.52) CTSKF2CTSLCTSBCTSS
SCHEMBL6577780 0.87 CTSK (0.55) CTSKF2CTSLCTSBCTSS
SCHEMBL7429714 0.82 CTSK (0.64) CTSKCTSLCTSBCTSS
SCHEMBL6404534 0.79 CTSK (0.64) CTSKCTSLCTSBCTSS
SCHEMBL5098711 0.79 CTSK (0.64) CTSKCTSLCTSBCTSS
SCHEMBL6578142 0.79 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL6580239 0.78 KMT2A (0.49) CTSKF2PLAU

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
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed