SCHEMBL7572622

SCHEMBL7572622

CC(C)CC#CC/N=C/c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 4/20 0.37
MET P08581 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 4/20 0.33
G6PC1 P35575 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7572626 1.00 LMNA (0.38) LMNAL3MBTL1CA2METTAAR1
SCHEMBL7573314 0.87 LMNA (0.35) LMNAL3MBTL1CA2METTAAR1
SCHEMBL7573318 0.87 LMNA (0.35) LMNAL3MBTL1CA2METTAAR1
SCHEMBL7581309 0.81 LMNA (0.39) LMNAL3MBTL1CA2METTAAR1
SCHEMBL7581315 0.81 LMNA (0.39) LMNAL3MBTL1CA2METTAAR1
SCHEMBL7574912 0.80 LMNA (0.41) LMNAL3MBTL1CA2TAAR1MEN1
SCHEMBL7574914 0.80 LMNA (0.41) LMNAL3MBTL1CA2TAAR1MEN1
SCHEMBL7571728 0.78 LMNA (0.43) LMNAL3MBTL1CA2TAAR1MEN1
SCHEMBL7571729 0.78 LMNA (0.43) LMNAL3MBTL1CA2TAAR1MEN1
SCHEMBL7580195 0.78 GRIN1 (0.37) LMNAMEN1KMT2ANPC1RAB9A

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