SCHEMBL3789708

SCHEMBL3789708

N#CC(C#N)=Cc1cccc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
APP P05067 4/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTT P42858 1/20 0.35
SNCA P37840 2/20 0.35
THRB P10828 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 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
SCHEMBL3795097 0.73 CYP2A6 (0.54) TRPA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL4820296 0.72 TRPA1 (0.56) TRPA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL29981581 0.72 TRPA1 (0.56) TRPA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL5539648 0.71 CYP2A6 (0.38) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL507550 0.71 HTT (0.39) ALDH1A1MAPTKDM4ELMNAADRA2A
SCHEMBL2263913 0.71 CYP2A6 (0.57) ALDH1A1MAPTKDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL29559243 0.69 SLC9A1 (0.38) ALDH1A1MAPTKDM4ELMNAADRA2A
SCHEMBL3798986 0.68 TRPA1 (0.47) TRPA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL9848553 0.68 TRPA1 (0.51) TRPA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL3812889 0.68 ADRA2A (0.36) ALDH1A1MAPTKMT2AMEN1ADRA2A

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