SCHEMBL7581324

SCHEMBL7581324

Clc1cccc(C=NCC#Cc2ccccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.44
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MAPT P10636 8/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 4/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL7571802 0.85 G6PC1 (0.36) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7573298 0.84 CA2 (0.38) SMN1; SMN2LMNA
SCHEMBL7573303 0.84 CA2 (0.38) SMN1; SMN2LMNA
SCHEMBL7571831 0.83 CHRM5 (0.43) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7571835 0.83 CHRM5 (0.43) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7574195 0.82 CHRM5 (0.44) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7574192 0.82 CHRM5 (0.44) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7578981 0.81 CHRM5 (0.49) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7578987 0.81 CHRM5 (0.49) CHRM5GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL7581260 0.81 LMNA (0.38) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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