SCHEMBL7573475

SCHEMBL7573475

COc1ccc(C#CCN=Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
AMY1A P0DUB6 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7572281 0.88 MEN1 (0.51) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7572287 0.88 MEN1 (0.51) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7579658 0.87 NFE2L2 (0.53) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7580865 0.86 MEN1 (0.49) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7571237 0.86 MEN1 (0.58) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7571243 0.86 MEN1 (0.58) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7572739 0.83 MEN1 (0.49) NFE2L2KMT2AMEN1MAPTALDH1A1
SCHEMBL7573181 0.80 RELA (0.51) NFE2L2MAPTNPC1RAB9A
SCHEMBL7573177 0.80 RELA (0.51) NFE2L2MAPTNPC1RAB9A
SCHEMBL7574055 0.80 ALDH1A1 (0.48) NFE2L2KMT2AMEN1MAPTALDH1A1

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