SCHEMBL7573431

SCHEMBL7573431

Cc1ccc(C#CC/N=C/c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
CA2 P00918 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL7573436 1.00 HPGD (0.33) HPGDCA2L3MBTL1LMNATAAR1
SCHEMBL7575256 0.82 G6PC1 (0.35) CA2L3MBTL1LMNATAAR1CA12
SCHEMBL7582042 0.82 CA2 (0.33) CA2L3MBTL1LMNATAAR1CA12
SCHEMBL7582036 0.82 CA2 (0.33) CA2L3MBTL1LMNATAAR1CA12
SCHEMBL7575258 0.82 G6PC1 (0.35) CA2L3MBTL1LMNATAAR1CA12
SCHEMBL7573127 0.82 CA2 (0.33) CA2L3MBTL1LMNATAAR1MAPT
SCHEMBL7573124 0.82 CA2 (0.33) CA2L3MBTL1LMNATAAR1MAPT
SCHEMBL7580291 0.76 FFAR1 (0.35) CA2L3MBTL1LMNATAAR1NPC1
SCHEMBL7580296 0.76 FFAR1 (0.35) CA2L3MBTL1LMNATAAR1NPC1
SCHEMBL7573202 0.74 ALDH1A1 (0.32) HPGDCA2L3MBTL1LMNAMAPT

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