SCHEMBL7573314

SCHEMBL7573314

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MET P08581 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.31
HTR2A P28223 3/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7573318 1.00 LMNA (0.35) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7572626 0.87 LMNA (0.38) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7572622 0.87 LMNA (0.38) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7574912 0.81 LMNA (0.41) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7574914 0.81 LMNA (0.41) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7571324 0.81 LMNA (0.35) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7571320 0.81 LMNA (0.35) LMNAL3MBTL1CA2KMT2AMEN1
SCHEMBL7573421 0.79 GRIN1 (0.36) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7573424 0.79 GRIN1 (0.36) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL7573504 0.79 G6PD (0.41) LMNAKMT2AMEN1MAPTALDH1A1

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