SCHEMBL7571738

SCHEMBL7571738

C[CH]CN=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA2 P00918 4/20 0.44
G6PC1 P35575 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
NOX1 Q9Y5S8 1/20 0.39
CA1 P00915 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38

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
SCHEMBL8141068 0.77 LMNA (0.48) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL12894229 0.77 CA2 (0.48) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL7603166 0.77 LMNA (0.48) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL9865680 0.77 CA2 (0.48) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL6888679 0.77 LMNA (0.48) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL1101650 0.76 LMNA (0.52) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL3443847 0.76 LMNA (0.52) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL19003736 0.76 LMNA (0.52) LMNAL3MBTL1CA2G6PC1TAAR1
SCHEMBL8924551 0.76 L3MBTL1 (0.46) LMNAL3MBTL1CA2G6PC1RAB9A
SCHEMBL845363 0.75 CA2 (0.61) LMNAL3MBTL1CA2G6PC1TAAR1

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