SCHEMBL7573303

SCHEMBL7573303

Brc1ccccc1C#CCN=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
FFAR1 O14842 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
G6PC1 P35575 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL7573298 1.00 CA2 (0.38) CA2FFAR1LMNAL3MBTL1CA1
SCHEMBL7571802 0.88 G6PC1 (0.36) LMNAG6PC1SMN1; SMN2
SCHEMBL7581324 0.84 CHRM5 (0.44) LMNASMN1; SMN2
SCHEMBL7571297 0.82 CTDSP1 (0.40) CA2LMNACA1CA12CA9
SCHEMBL7571301 0.82 CTDSP1 (0.40) CA2LMNACA1CA12CA9
SCHEMBL7572958 0.79 KMT2A (0.50) CA2LMNACA1SMN1; SMN2
SCHEMBL7575394 0.79 GRIN1 (0.36) FFAR1LMNA
SCHEMBL7572455 0.78 SMN1; SMN2 (0.35) CA2LMNAL3MBTL1CA1SMN1; SMN2
SCHEMBL7573259 0.78 MAPT (0.43) CA2LMNAL3MBTL1CA1SMN1; SMN2
SCHEMBL7573263 0.78 MAPT (0.43) CA2LMNAL3MBTL1CA1SMN1; SMN2

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