SCHEMBL7572027

SCHEMBL7572027

CCCC#CC/N=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
AMY1A P0DUB6 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
NFE2L2 Q16236 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
FBP1 P09467 1/20 0.43
VCP P55072 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7572031 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7572625 0.93 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7572627 0.93 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7571978 0.91 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7571980 0.91 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7572339 0.90 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7572341 0.90 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7579718 0.90 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7579725 0.90 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDUSP2
SCHEMBL7582220 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDUSP2

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