SCHEMBL7572958

SCHEMBL7572958

O=[N+]([O-])c1cccc(C=NCC#Cc2ccccc2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
PTGS2 P35354 1/20 0.43
AMY1A P0DUB6 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL7571301 0.87 CTDSP1 (0.40) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571297 0.87 CTDSP1 (0.40) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7573389 0.85 MEN1 (0.49) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571893 0.84 KMT2A (0.47) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571889 0.84 KMT2A (0.47) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571243 0.83 MEN1 (0.58) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571237 0.83 MEN1 (0.58) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7572287 0.81 MEN1 (0.51) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7572281 0.81 MEN1 (0.51) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL7571852 0.80 NFE2L2 (0.47) KMT2AMEN1CA1CA2ALDH1A1

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