SCHEMBL7573127

SCHEMBL7573127

Brc1ccc(C#CCN=Cc2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 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
SCHEMBL7573124 1.00 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573483 0.86 MAOB (0.34)
SCHEMBL7582042 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7575258 0.82 G6PC1 (0.35) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573436 0.82 HPGD (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573431 0.82 HPGD (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7582036 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7575256 0.82 G6PC1 (0.35) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573394 0.81 GRIN2D (0.33) LMNAALDH1A1MAPT
SCHEMBL7579771 0.80 MAPT (0.40) CA2LMNACA12CA1CA9

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