SCHEMBL6578319

SCHEMBL6578319

CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.51
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
F10 P00742 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
TP53 P04637 1/20 0.37
CCR10 P46092 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6580363 0.91 CTSK (0.55) CTSKCTSLCTSBCTSSF10
SCHEMBL6578009 0.91 CTSK (0.52) CTSKCTSLCTSBCTSSF10
SCHEMBL6578194 0.88 CTSK (0.56) CTSKCTSLCTSBCTSS
SCHEMBL6582337 0.87 CTSK (0.51) CTSKCTSLCTSBCTSS
SCHEMBL6584080 0.87 CTSK (0.52) CTSKCTSLCTSBCTSSF10
SCHEMBL7429714 0.81 CTSK (0.64) CTSKCTSLCTSBCTSSPOLB
SCHEMBL6404534 0.78 CTSK (0.64) CTSKCTSLCTSBCTSSPOLB
SCHEMBL5098711 0.78 CTSK (0.64) CTSKCTSLCTSBCTSSPOLB
SCHEMBL6577780 0.78 CTSK (0.55) CTSKCTSLCTSBCTSSF10
SCHEMBL6578142 0.78 CTSK (0.48) CTSKCTSLCTSBCTSSPOLB

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