SCHEMBL3794058

SCHEMBL3794058

N#CC(C#N)=Cc1cccc2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
TRPA1 O75762 1/20 0.46
APP P05067 3/20 0.44
AHR P35869 1/20 0.42
KEAP1 Q14145 1/20 0.41
PDPK1 O15530 1/20 0.40
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLEC Q15149 1/20 0.37
BLM P54132 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
THRB P10828 1/20 0.34
CISD1 Q9NZ45 1/20 0.34

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
SCHEMBL8303126 0.75 BACE1 (0.54) BACE1AHRKEAP1PDPK1BCHE
SCHEMBL8303060 0.75 BACE1 (0.54) BACE1AHRKEAP1PDPK1BCHE
SCHEMBL3797252 0.73 APP (0.64) TRPA1APPAHRKMT2AALDH1A1
SCHEMBL4820296 0.72 TRPA1 (0.56) TRPA1APPKMT2AALDH1A1MAPT
SCHEMBL29981581 0.72 TRPA1 (0.56) TRPA1APPKMT2AALDH1A1MAPT
SCHEMBL9949755 0.71 BACE1 (0.54) BACE1AHRKEAP1PDPK1KMT2A
SCHEMBL9949750 0.71 BACE1 (0.54) BACE1AHRKEAP1PDPK1KMT2A
SCHEMBL97592 0.71 BACE1 (0.57) BACE1TRPA1AHRKEAP1PDPK1
SCHEMBL8040462 0.71 BACE1 (0.53) BACE1TRPA1AHRKEAP1PDPK1
SCHEMBL2262612 0.71 BACE1 (0.53) BACE1TRPA1AHRKEAP1PDPK1

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