SCHEMBL7574544

SCHEMBL7574544

COc1ccc(C#CCN=Cc2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 1/20 0.37
APP P05067 2/20 0.36
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL7574542 1.00 NFE2L2 (0.47) NFE2L2RELAMAPTMEN1KMT2A
SCHEMBL7574920 0.85 ALDH1A1 (0.40) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL7574921 0.85 ALDH1A1 (0.40) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL7580944 0.85 MAPT (0.43) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL7580939 0.85 MAPT (0.43) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL7571646 0.84 GRIN1 (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL7571650 0.84 GRIN1 (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL7579599 0.81 TRPA1 (0.45) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL7579606 0.81 TRPA1 (0.45) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL7573370 0.80 MAPT (0.35) MAPTMEN1KMT2AL3MBTL1LMNA

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