SCHEMBL7571972

SCHEMBL7571972

CCCCC#CCN=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 2/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7571967 1.00 MAPT (0.41) MAPTLMNAL3MBTL1CA2KMT2A
SCHEMBL7579030 0.95 MAPT (0.38) MAPTLMNAL3MBTL1CA2KMT2A
SCHEMBL7579026 0.95 MAPT (0.38) MAPTLMNAL3MBTL1CA2KMT2A
SCHEMBL7575470 0.94 CYP3A4 (0.40) MAPTLMNAKMT2AALDH1A1FAAH
SCHEMBL7575466 0.94 CYP3A4 (0.40) MAPTLMNAKMT2AALDH1A1FAAH
SCHEMBL7581626 0.90 LMNA (0.39) MAPTLMNAL3MBTL1CA2KMT2A
SCHEMBL7581620 0.90 LMNA (0.39) MAPTLMNAL3MBTL1CA2KMT2A
SCHEMBL7579643 0.84 ALDH1A1 (0.39) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7579639 0.84 ALDH1A1 (0.39) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7574914 0.82 LMNA (0.41) LMNAL3MBTL1CA2KMT2AALDH1A1

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