SCHEMBL7580944

SCHEMBL7580944

COc1ccc(C#CCN=Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 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
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GUSB P08236 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL7580939 1.00 MAPT (0.43) MAPTALDH1A1LMNATDP1RAB9A
SCHEMBL7573184 0.86 LMNA (0.41) MAPTALDH1A1LMNATDP1GRIN2D
SCHEMBL7573180 0.86 LMNA (0.41) MAPTALDH1A1LMNATDP1GRIN2D
SCHEMBL7574544 0.85 NFE2L2 (0.47) MAPTALDH1A1LMNATDP1GAA
SCHEMBL7574542 0.85 NFE2L2 (0.47) MAPTALDH1A1LMNATDP1GAA
SCHEMBL7579739 0.83 LMNA (0.43) MAPTALDH1A1LMNATDP1RAB9A
SCHEMBL7579742 0.83 LMNA (0.43) MAPTALDH1A1LMNATDP1RAB9A
SCHEMBL7572532 0.82 MAOB (0.39) MAPTALDH1A1LMNARAB9AGRIN2D
SCHEMBL7572529 0.82 MAOB (0.39) MAPTALDH1A1LMNARAB9AGRIN2D
SCHEMBL7573177 0.80 RELA (0.51) MAPTRAB9AGAA

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