SCHEMBL8245232

SCHEMBL8245232

COc1ccc(CC(=O)NN(CC(C)C)c2nc(C#N)ncc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
GRM2 Q14416 1/20 0.39
HTT P42858 3/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CACNA1I Q9P0X4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8270512 0.90 CTSS (0.45) CTSLCTSSCTSKCTSBMAPK8
SCHEMBL8243947 0.89 CTSL (0.56) CTSLCTSSCTSKCTSBMAPK8
SCHEMBL8243088 0.89 CTSL (0.46) CTSLCTSSCTSKCTSBMAPK8
Trifluoroacetic Acid SCHEMBL5792187 0.86 CTSS (0.41) CTSLCTSSCTSKCTSBMAPK8
SCHEMBL8245231 0.83 CTSL (0.46) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL5794190 0.82 ALDH1A1 (0.41) CTSLCTSSCTSKCTSBMAPK8
SCHEMBL8245916 0.81 CTSL (0.46) CTSLCTSSCTSKCTSBHTT
SCHEMBL5309362 0.77 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL8246096 0.75 CTSL (0.41) CTSLCTSSCTSKCTSBPOLB
SCHEMBL8245772 0.74 CTSL (0.49) CTSLCTSSCTSKCTSBKDM4E

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed