SCHEMBL4053539

SCHEMBL4053539

CN(C)c1nc2c(nc1C#N)C(=O)c1ccccc1-2.COc1nc2c(nc1C#N)C(=O)c1ccccc1-2

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP8 P40818 16/20 0.81
USP7 Q93009 10/20 0.58
USP47 Q96K76 4/20 0.58
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL1512437 0.90 USP8 (0.71) USP8USP7USP47NPC1ALDH1A1
SCHEMBL1512549 0.90 USP8 (1.00) USP8USP7USP47TP53NPC1
SCHEMBL4599977 0.87 USP8 (0.62) USP8USP7USP47TP53
SCHEMBL4600925 0.87 USP8 (0.83) USP8USP7USP47TP53
SCHEMBL4614200 0.80 USP8 (0.61) USP8USP7USP47
SCHEMBL4053748 0.78 USP8 (0.58) USP8USP7USP47
SCHEMBL4382629 0.77 USP8 (0.72) USP8USP7USP47TP53
SCHEMBL1512485 0.76 USP8 (1.00) USP8USP7USP47NPC1ALDH1A1
SCHEMBL30931160 0.76 USP8 (1.00) USP8USP7USP47NPC1ALDH1A1
SCHEMBL1512579 0.76 USP8 (1.00) USP8USP7USP47NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009503052-A 2009-01-29 JP claimed
EP-1912954-A2 NOVEL CYSTEINE PROTEASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Hybrigenics S.A. (FR) 2008-04-23 EP claimed
WO-2007017758-A2 NOVEL CYSTEINE PROTEASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-02-15 WO claimed