SCHEMBL5593161

SCHEMBL5593161

CC(C)CN(NC(=O)c1cccc(CN2CCCCC2)c1)c1nc(C#N)ncc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
CTSB P07858 1/20 0.60
PTGER1 P34995 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
WNT1 P04628 3/20 0.40
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5592895 0.99 CTSL (0.60) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5592654 0.97 CTSL (0.61) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5592666 0.96 CTSL (0.61) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5592751 0.96 CTSL (0.59) CTSLCTSSCTSKCTSBPTGER1
Trifluoroacetic Acid SCHEMBL5593235 0.95 CTSL (0.55) CTSLCTSSCTSKCTSBPTGER1
Trifluoroacetic Acid SCHEMBL5592876 0.94 CTSL (0.55) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5593202 0.93 CTSL (0.54) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL8244881 0.92 CTSL (0.58) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5592870 0.92 CTSL (0.61) CTSLCTSSCTSKCTSBPTGER1
SCHEMBL5592907 0.92 CTSL (0.61) CTSLCTSSCTSKCTSBPTGER1

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-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed