SCHEMBL7573394

SCHEMBL7573394

Clc1ccccc1C=NCC#Cc1ccc(Br)s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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
SCHEMBL7573127 0.81 CA2 (0.33) ALDH1A1LMNAMAPT
SCHEMBL7573124 0.81 CA2 (0.33) ALDH1A1LMNAMAPT
SCHEMBL7573483 0.78 MAOB (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7575394 0.77 GRIN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7571646 0.76 GRIN1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7571650 0.76 GRIN1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7574140 0.72 GRIN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7574142 0.72 GRIN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7580530 0.72 MAPT (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7580524 0.72 MAPT (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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