SCHEMBL7575438

SCHEMBL7575438

Cc1ccc(C#CCN=Cc2ccc(Cl)cc2Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
AMY1A P0DUB6 1/20 0.35
GUSB P08236 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7575432 1.00 KMT2A (0.38) KMT2APOLBLMNAALDH1A1MAPK1
SCHEMBL7580395 0.87 KMT2A (0.39) KMT2APOLBLMNAALDH1A1MAPK1
SCHEMBL7580390 0.87 KMT2A (0.39) KMT2APOLBLMNAALDH1A1MAPK1
SCHEMBL7574480 0.86 MAPT (0.36) KMT2APOLBLMNAALDH1A1MAPT
SCHEMBL7574476 0.86 MAPT (0.36) KMT2APOLBLMNAALDH1A1MAPT
SCHEMBL7580233 0.83 PARP15 (0.38) KMT2APOLBLMNAALDH1A1MEN1
SCHEMBL7580227 0.83 PARP15 (0.38) KMT2APOLBLMNAALDH1A1MEN1
SCHEMBL7573184 0.83 LMNA (0.41) KMT2APOLBLMNAALDH1A1MAPK1
SCHEMBL7573180 0.83 LMNA (0.41) KMT2APOLBLMNAALDH1A1MAPK1
SCHEMBL7572816 0.80 CHRM5 (0.42) KMT2ALMNAALDH1A1MAPK1MAPT

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