SCHEMBL8205148

SCHEMBL8205148

CCN(CCCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)NN(c2nc(N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.39
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 2/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
TTK P33981 2/20 0.34
MAPT P10636 1/20 0.33
APP P05067 2/20 0.33
IGF1R P08069 2/20 0.32
GCGR P47871 1/20 0.32
MAPK3 P27361 1/20 0.32
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL8211313 0.90 FNTA (0.39) USP7STK17BSTK17ADRD2FNTA
SCHEMBL13902533 0.86 USP7 (0.37) USP7DRD2DRD3TP53SMN1; SMN2
SCHEMBL8193280 0.85 HDAC6 (0.42) HDAC8HDAC6
SCHEMBL8203793 0.79 ACVR1 (0.35) DRD2DRD3GCGRHDAC8HDAC6
SCHEMBL8206046 0.79 ACVR1 (0.35) DRD2DRD3GCGRHDAC8HDAC6
SCHEMBL8206083 0.79 MEN1 (0.35) DRD2DRD3HTTMAPTHDAC6
SCHEMBL3920108 0.79 USP7 (0.42) USP7DRD2DRD3TP53SMN1; SMN2
SCHEMBL8205988 0.79 ACVR1 (0.43)
SCHEMBL8206710 0.79 TMEM97 (0.39) USP7DRD2DRD3HDAC2HDAC6
SCHEMBL8206010 0.78 F10 (0.42) USP7DRD2DRD3

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-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed