SCHEMBL6687230

SCHEMBL6687230

COc1ccc(NCCNC(=O)C(CCNC(=O)c2cccc(-c3csc(C)n3)c2)C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.56
CTSL P07711 14/20 0.56
CTSK P43235 8/20 0.56
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6685381 0.85 CTSL (0.75) CTSSCTSLCTSK
SCHEMBL5842483 0.85 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL5842487 0.85 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL5841146 0.84 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL5841153 0.84 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL6692650 0.81 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL6691086 0.81 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL6690169 0.81 CTSL (0.73) CTSSCTSLCTSK
SCHEMBL6690835 0.79 CTSL (0.55) CTSSCTSLCTSKMEN1NPC1
SCHEMBL5843021 0.78 CTSL (0.73) CTSSCTSLCTSK

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
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed