SCHEMBL7571728

SCHEMBL7571728

CC#CC/N=C/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 4/20 0.41
TAAR1 Q96RJ0 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
G6PC1 P35575 1/20 0.36
CA1 P00915 2/20 0.36
NOX1 Q9Y5S8 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 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
SCHEMBL7571729 1.00 LMNA (0.43) LMNAL3MBTL1CA2TAAR1GRIN2D
SCHEMBL7571779 0.82 NPC1 (0.48) L3MBTL1CA2GRIN2DGRIN3BGRIN1
SCHEMBL7574912 0.82 LMNA (0.41) LMNAL3MBTL1CA2TAAR1GRIN2D
SCHEMBL7574914 0.82 LMNA (0.41) LMNAL3MBTL1CA2TAAR1GRIN2D
SCHEMBL7571775 0.82 NPC1 (0.48) L3MBTL1CA2GRIN2DGRIN3BGRIN1
SCHEMBL7575203 0.81 MAOB (0.44) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL7575202 0.81 MAOB (0.44) LMNAL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL7579680 0.80 NPC1 (0.55) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7579687 0.80 NPC1 (0.55) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7581309 0.79 LMNA (0.39) LMNAL3MBTL1CA2TAAR1G6PC1

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-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed