SCHEMBL6690835

SCHEMBL6690835

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(-c3csc(C)n3)c2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.55
CTSS P25774 13/20 0.55
CTSK P43235 8/20 0.51
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5843021 0.84 CTSL (0.73) CTSLCTSSCTSK
SCHEMBL5843014 0.84 CTSL (0.73) CTSLCTSSCTSK
SCHEMBL6690841 0.84 CTSL (0.65) CTSLCTSSCTSK
SCHEMBL6693130 0.81 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL6687754 0.80 CTSL (0.69) CTSLCTSSCTSK
SCHEMBL6687230 0.79 CTSS (0.56) CTSLCTSSCTSKLMNAHTT
SCHEMBL6688735 0.79 CTSL (0.71) CTSLCTSSCTSK
SCHEMBL6685376 0.79 CTSL (0.68) CTSLCTSSCTSK
SCHEMBL6687707 0.79 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6685689 0.79 CTSL (0.70) CTSLCTSSCTSK

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