SCHEMBL6072630

SCHEMBL6072630

Cc1nc(C)c(C(=O)N[C@@H](CC2CCCCC2)C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)c2ccccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.39
CTSL P07711 10/20 0.39
CTSS P25774 10/20 0.39
USP30 Q70CQ3 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PSMB10 P40306 3/20 0.33
PSMB2 P49721 3/20 0.33
CTSB P07858 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KLKB1 P03952 1/20 0.31
GAA P10253 1/20 0.31
CTSV O60911 1/20 0.31

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
SCHEMBL7010283 0.92 KDM4E (0.40) CTSKCTSLCTSSUSP30KDM4E
SCHEMBL6072667 0.85 CTSK (0.41) CTSKCTSLCTSSUSP30PSMB10
SCHEMBL6073049 0.85 CTSK (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7007037 0.85 CTSK (0.38) CTSKCTSLCTSSUSP30CTSB
SCHEMBL6072616 0.85 CTSK (0.40) CTSKCTSLCTSSUSP30CTSB
SCHEMBL6073055 0.85 CTSL (0.42) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7012868 0.84 CTSS (0.40) CTSKCTSLCTSSUSP30PSMB10
SCHEMBL7011520 0.84 CTSS (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7006426 0.84 CTSK (0.53) CTSKCTSLCTSSUSP30
SCHEMBL7006137 0.84 CTSL (0.39) CTSKCTSLCTSSUSP30CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006505526-A 2006-02-16 JP claimed
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed