SCHEMBL4599545

SCHEMBL4599545

Cc1ccc2c(c1)-c1nc(C#N)c(C#N)nc1C2=O.Cc1cccc2c1C(=O)c1nc(C#N)c(C#N)nc1-2

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP8 P40818 17/20 0.78
USP7 Q93009 11/20 0.76
USP47 Q96K76 4/20 0.56
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.41

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
SCHEMBL1512480 0.88 USP8 (1.00) USP8USP7USP47MAPTRAB9A
SCHEMBL1512378 0.87 USP8 (1.00) USP8USP7USP47MAPTRAB9A
SCHEMBL4062211 0.83 USP8 (0.54) USP8USP7USP47MAPTRAB9A
SCHEMBL4599919 0.83 USP8 (0.61) USP8USP7USP47MAPTRAB9A
SCHEMBL4061070 0.83 USP8 (0.61) USP8USP7USP47RAB9ASMN1; SMN2
SCHEMBL14612220 0.81 USP8 (0.81) USP8USP7USP47MAPTRAB9A
SCHEMBL4600361 0.79 USP8 (0.49) USP8USP7USP47
SCHEMBL1512485 0.73 USP8 (1.00) USP8USP7USP47MAPTRAB9A
SCHEMBL30931160 0.73 USP8 (1.00) USP8USP7USP47MAPTRAB9A
SCHEMBL1512515 0.73 USP8 (0.92) USP8USP7USP47MAPTRAB9A

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
EP-1912954-A2 NOVEL CYSTEINE PROTEASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Hybrigenics S.A. (FR) 2008-04-23 EP disclosed
WO-2007017758-A2 NOVEL CYSTEINE PROTEASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2007-02-15 WO disclosed