SCHEMBL7579739

SCHEMBL7579739

Clc1ccc(/C=N/CC#Cc2ccccc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL7579742 1.00 LMNA (0.43) LMNABCHEACHEBACE1CYP1A2
SCHEMBL7580371 0.90 GUSB (0.41) LMNABCHEACHEBACE1CYP1A2
SCHEMBL7573184 0.86 LMNA (0.41) LMNAMAPTKMT2AGRIN2DGRIN3B
SCHEMBL7573180 0.86 LMNA (0.41) LMNAMAPTKMT2AGRIN2DGRIN3B
SCHEMBL7571691 0.85 CYP2A6 (0.39) LMNABCHEACHEBACE1CYP1A2
SCHEMBL7571697 0.85 CYP2A6 (0.39) LMNABCHEACHEBACE1CYP1A2
SCHEMBL7571650 0.85 GRIN1 (0.39) LMNACYP1A2CYP2C19MAPTKMT2A
SCHEMBL7571646 0.85 GRIN1 (0.39) LMNACYP1A2CYP2C19MAPTKMT2A
SCHEMBL7580944 0.83 MAPT (0.43) LMNAMAPTKMT2AGRIN2DGRIN3B
SCHEMBL7580939 0.83 MAPT (0.43) LMNAMAPTKMT2AGRIN2DGRIN3B

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