SCHEMBL6578009

SCHEMBL6578009

CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.52
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 2/20 0.41
TP53 P04637 1/20 0.37
CACNA1B Q00975 2/20 0.36
ADAMTS7 Q9UKP4 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
F10 P00742 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS1 Q9UHI8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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) CTSKCTSSCTSLCTSBF10
SCHEMBL6578319 0.91 CTSK (0.51) CTSKCTSSCTSLCTSBTP53
SCHEMBL6584080 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBCACNA1B
SCHEMBL6578194 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBCACNA1B
SCHEMBL6581112 0.86 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL7429714 0.82 CTSK (0.64) CTSKCTSSCTSLCTSBCACNA1B
SCHEMBL6404534 0.79 CTSK (0.64) CTSKCTSSCTSLCTSBCACNA1B
SCHEMBL5098711 0.79 CTSK (0.64) CTSKCTSSCTSLCTSBCACNA1B
SCHEMBL6578142 0.79 CTSK (0.48) CTSKCTSSCTSLCTSBPOLB
SCHEMBL6577780 0.78 CTSK (0.55) CTSKCTSSCTSLCTSBF10

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