SCHEMBL3797252

SCHEMBL3797252

N#CC(C#N)=Cc1cccc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.64
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
PLEC Q15149 1/20 0.43
AHR P35869 1/20 0.42
PIP4K2A P48426 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KIF20A O95235 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL4328855 0.78 APP (1.00) APPTRPA1ALDH1A1MAPTKDM4E
SCHEMBL10547155 0.77 AHR (0.46) APPTRPA1AHRMAPK1PIK3CD
SCHEMBL3794058 0.73 BACE1 (0.49) APPTRPA1ALDH1A1MAPTKDM4E
SCHEMBL4820296 0.72 TRPA1 (0.56) APPTRPA1ALDH1A1MAPTKDM4E
SCHEMBL29981581 0.72 TRPA1 (0.56) APPTRPA1ALDH1A1MAPTKDM4E
SCHEMBL27697522 0.71 APP (0.56) APPTRPA1ALDH1A1MAPTKDM4E
SCHEMBL8583049 0.71 AKR1C3 (0.43) ALDH1A1MAPTKDM4EAHRMEN1
SCHEMBL18783875 0.71 AURKA (0.40) ALDH1A1MAPTAHRPOLBMEN1
SCHEMBL18783872 0.71 AURKA (0.40) ALDH1A1MAPTAHRPOLBMEN1
SCHEMBL22925047 0.71 AHR (0.50) TRPA1AHRMAPK1PIK3CD

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
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed