SCHEMBL7573201

SCHEMBL7573201

Cc1cc(C#CC/N=C/c2ccccc2)cs1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7573202 1.00 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL7574047 0.84 CA2 (0.32) CA2LMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL7574040 0.84 CA2 (0.32) CA2LMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL7579481 0.83 CA2 (0.31) CA2LMNAL3MBTL1SMN1; SMN2
SCHEMBL7579473 0.83 CA2 (0.31) CA2LMNAL3MBTL1SMN1; SMN2
SCHEMBL7572629 0.83 CA2 (0.31) CA2LMNAL3MBTL1SMN1; SMN2
SCHEMBL7572630 0.83 CA2 (0.31) CA2LMNAL3MBTL1SMN1; SMN2
SCHEMBL7571250 0.78 CYP1A2 (0.45) ALDH1A1KDM4EHTTCA2LMNA
SCHEMBL7571246 0.78 CYP1A2 (0.45) ALDH1A1KDM4EHTTCA2LMNA
SCHEMBL7581838 0.78 MAPT (0.47) ALDH1A1GAAHTTCA2LMNA

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