SCHEMBL8744731

SCHEMBL8744731

Cc1ccc(-c2c[nH]c(C#N)n2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.45
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ALPL P05186 2/20 0.39
CA9 Q16790 1/20 0.39
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
CYP17A1 P05093 1/20 0.35
TLR8 Q9NR97 1/20 0.34
BIRC5 O15392 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
SCHEMBL25357822 0.85 USP8 (0.38) HSP90AB1MAPTKDM4EMEN1NPC1
SCHEMBL8744776 0.81 LRRK2 (0.43) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL8744742 0.77 CYP11B1 (0.43) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL8744753 0.76 CTSS (0.49) MAPTKDM4ENPC1
SCHEMBL8744801 0.75 NUDT1 (0.38) USP8TLR8
SCHEMBL8744729 0.72 KDM4E (0.46) HSP90AB1MAPTKDM4EMEN1KMT2A
SCHEMBL11047513 0.72 ALPL (0.42) HSP90AB1MAPTKDM4EMEN1NPC1
SCHEMBL7142092 0.71 MAPT (0.46) MAPTKDM4EMEN1NPC1KMT2A
SCHEMBL31218523 0.69 TRPA1 (0.40) ATM
SCHEMBL8744748 0.68 IDO1 (0.41) MAPTKDM4ENPC1KMT2ALMNA

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
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed