SCHEMBL3801225

SCHEMBL3801225

N#CC(C#N)=Cc1cccc2occc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
KDM4E B2RXH2 4/20 0.43
PLEC Q15149 1/20 0.43
APP P05067 3/20 0.42
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
SNCA P37840 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FTO Q9C0B1 1/20 0.34
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
SCHEMBL3800079 0.73 TRPA1 (0.46) TRPA1ALDH1A1MAPTLMNAKDM4E
SCHEMBL4820296 0.72 TRPA1 (0.56) TRPA1ALDH1A1MAPTLMNAKDM4E
SCHEMBL29981581 0.72 TRPA1 (0.56) TRPA1ALDH1A1MAPTLMNAKDM4E
SCHEMBL28300613 0.71 MAOA (0.41) ALDH1A1MAOAMAOBFTO
SCHEMBL506731 0.71 MAOA (0.41) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL452370 0.71 MAOA (0.41) MAOAMAOBFTO
SCHEMBL3800012 0.71 PTPN1 (0.47) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL29952108 0.71 PTPN1 (0.47) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL5546709 0.71 MAOA (0.41) ALDH1A1MAPTKDM4EMAOAMAOB
SCHEMBL17873694 0.70 KDM4E (0.39) ALDH1A1MAPTLMNAKDM4EKMT2A

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