SCHEMBL6587122

SCHEMBL6587122

CN(C#N)C(=O)[C@H](CCCCNC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.51
CTSK P43235 11/20 0.51
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL6587126 0.82 CTSS (0.75) CTSSCTSKCTSLCTSB
SCHEMBL6872650 0.82 CTSS (0.75) CTSSCTSKCTSLCTSB
SCHEMBL20143076 0.81 MEN1 (0.55) CTSSCTSKCTSLCTSBMEN1
SCHEMBL16762194 0.77 CTSS (0.46) CTSSCTSKJAK3BTKMEN1
SCHEMBL8163276 0.77 JAK3 (0.44) CTSSCTSKJAK3BTKMEN1
SCHEMBL6257674 0.76 CTSS (0.61) CTSSCTSKCTSLCTSBGAA
SCHEMBL6019972 0.76 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL7976196 0.76 CTSK (0.43) CTSSCTSKJAK3BTKMEN1
SCHEMBL7976200 0.76 CTSK (0.43) CTSSCTSKJAK3BTKMEN1
SCHEMBL16762121 0.76 CTSK (0.53) CTSSCTSKCTSLCTSBJAK3

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-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed