SCHEMBL6584080

SCHEMBL6584080

CC(C)C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
KAT6A Q92794 5/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CACNA1B Q00975 1/20 0.37
KAT7 O95251 1/20 0.36
DRD2 P14416 1/20 0.36
METAP2 P50579 1/20 0.36
KAT6B Q8WYB5 1/20 0.36
KAT5 Q92993 1/20 0.36
F2 P00734 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
F10 P00742 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL6578194 0.91 CTSK (0.56) CTSKCTSLCTSBCTSSCACNA1B
SCHEMBL6578009 0.91 CTSK (0.52) CTSKCTSLCTSBCTSSCACNA1B
SCHEMBL6580363 0.87 CTSK (0.55) CTSKCTSLCTSBCTSSF2
SCHEMBL6578319 0.87 CTSK (0.51) CTSKCTSLCTSBCTSSF2
SCHEMBL6580967 0.86 CTSK (0.52) CTSKKAT6ACTSLCTSBCTSS
SCHEMBL7429714 0.82 CTSK (0.64) CTSKCTSLCTSBCTSSCACNA1B
SCHEMBL5098711 0.79 CTSK (0.64) CTSKCTSLCTSBCTSSCACNA1B
SCHEMBL6404534 0.79 CTSK (0.64) CTSKCTSLCTSBCTSSCACNA1B
SCHEMBL6578142 0.79 CTSK (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4689761 0.79 CTSK (0.63) CTSKCTSLCTSBCTSS

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