SCHEMBL5592803

SCHEMBL5592803

CC(C)CNN(C(=O)c1ccc(CN2C(C)CCCC2C)cc1)c1nc(C#N)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.41
CTSK P43235 8/20 0.41
CTSL P07711 6/20 0.41
CTSB P07858 1/20 0.41
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PANK3 Q9H999 1/20 0.31
CHRM4 P08173 1/20 0.31
PRKAA2 P54646 1/20 0.31
P2RX3 P56373 2/20 0.30

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
SCHEMBL5592899 0.91 CHEK1 (0.38) CTSSCTSKCTSLCTSBCHEK1
SCHEMBL5592691 0.86 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL5592894 0.83 CTSL (0.45) CTSSCTSKCTSLCTSBCHRM4
SCHEMBL5592660 0.82 CTSS (0.49) CTSSCTSKCTSLCTSBCHRM4
SCHEMBL8242605 0.82 CTSS (0.60) CTSSCTSKCTSLCTSBCHEK1
SCHEMBL5593156 0.80 CTSL (0.43) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL5592735 0.80 CTSS (0.49) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL5592645 0.80 CTSS (0.47) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL5592864 0.79 CTSS (0.47) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL5592759 0.78 CTSL (0.47) CTSSCTSKCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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