SCHEMBL8238286

SCHEMBL8238286

CC(C)(C)CN(NC(=O)c1ccc(F)cc1)c1nc(C#N)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
CTSB P07858 1/20 0.54
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HTT P42858 1/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VNN1 O95497 1/20 0.33
SSTR3 P32745 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNJ11 Q14654 3/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL8245748 0.91 CTSL (0.51) CTSLCTSSCTSKCTSBHDAC3
SCHEMBL8270007 0.89 CTSL (0.42) CTSLCTSSCTSKCTSBHDAC3
SCHEMBL8245913 0.87 CTSL (0.69) CTSLCTSSCTSKCTSBHTT
SCHEMBL8200798 0.83 CTSK (0.79) CTSLCTSSCTSKCTSBHDAC3
SCHEMBL8236641 0.82 CTSL (0.66) CTSLCTSSCTSKCTSBHDAC6
SCHEMBL8241787 0.82 CTSK (0.69) CTSLCTSSCTSKCTSBHDAC1
SCHEMBL8243085 0.82 CTSK (0.56) CTSLCTSSCTSKCTSBHDAC3
SCHEMBL5791503 0.81 CTSK (0.47) CTSLCTSSCTSKCTSBHDAC3
Trifluoroacetic Acid SCHEMBL3169501 0.81 CTSK (0.73) CTSLCTSSCTSKCTSBHDAC6
SCHEMBL8245943 0.81 L3MBTL1 (0.37) CTSLCTSSCTSKCTSBALDH1A1

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