SCHEMBL7579771

SCHEMBL7579771

O=[N+]([O-])c1ccc(C=NCC#Cc2ccc(Br)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
AMY1A P0DUB6 1/20 0.36

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
SCHEMBL7573483 0.81 MAOB (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7573127 0.80 CA2 (0.33) MAPTPOLBLMNAMAPK1ALDH1A1
SCHEMBL7573124 0.80 CA2 (0.33) MAPTPOLBLMNAMAPK1ALDH1A1
SCHEMBL7573148 0.79 GRIN2D (0.44) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7573146 0.79 GRIN2D (0.44) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7571297 0.77 CTDSP1 (0.40) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7571301 0.77 CTDSP1 (0.40) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7579070 0.76 MEN1 (0.49) MAPTKDM4EMEN1POLBKMT2A
SCHEMBL7579065 0.76 MEN1 (0.49) MAPTKDM4EMEN1POLBKMT2A
SCHEMBL7574945 0.74 GRIN2D (0.49) MAPTKDM4EMEN1KMT2ANPC1

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