SCHEMBL6690825

SCHEMBL6690825

COc1ccc(NCCNC(=O)C(CNC(=O)c2cccc(N(C)C)c2)C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.61
CTSL P07711 11/20 0.61
CTSK P43235 7/20 0.61
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
GAA P10253 1/20 0.47
MAPK14 Q16539 1/20 0.46

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
SCHEMBL6692456 0.88 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL6687678 0.87 CTSS (0.71) CTSSCTSLCTSK
SCHEMBL6690860 0.87 CTSS (0.61) CTSSCTSLCTSKABL1BCR
SCHEMBL6685947 0.86 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL6685236 0.86 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL6690368 0.86 CTSS (0.58) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL6690040 0.84 CTSS (0.57) CTSSCTSLCTSKABL1BCR
SCHEMBL6687985 0.83 CTSS (0.56) CTSSCTSLCTSK
SCHEMBL6693346 0.83 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL6689691 0.83 CTSS (0.56) 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