SCHEMBL7580528

SCHEMBL7580528

Clc1ccc(C=NCC#Cc2cccc3ccccc23)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 3/20 0.39
POLB P06746 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALPG P10696 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35

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
SCHEMBL7580519 1.00 MAPT (0.39) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7571819 0.87 CYP1A2 (0.39) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7571823 0.87 CYP1A2 (0.39) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7571835 0.82 CHRM5 (0.43) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7581260 0.82 LMNA (0.38) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7571831 0.82 CHRM5 (0.43) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7573242 0.82 MEN1 (0.37) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7573246 0.82 MEN1 (0.37) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7579739 0.79 LMNA (0.43) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL7579742 0.79 LMNA (0.43) MAPTKMT2ACYP1A2CYP2C19LMNA

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