SCHEMBL7574480

SCHEMBL7574480

Cc1ccc(C#CCN=Cc2ccccc2Cl)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
POLB P06746 4/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 4/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 4/20 0.32
ALOX12 P18054 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL7574476 1.00 MAPT (0.36) MAPTPOLBRAB9ALMNAKMT2A
SCHEMBL7580530 0.87 MAPT (0.37) MAPTPOLBRAB9ALMNAKMT2A
SCHEMBL7580524 0.87 MAPT (0.37) MAPTPOLBRAB9ALMNAKMT2A
SCHEMBL7575432 0.86 KMT2A (0.38) MAPTPOLBLMNAKMT2AHTT
SCHEMBL7575438 0.86 KMT2A (0.38) MAPTPOLBLMNAKMT2AHTT
SCHEMBL7574920 0.81 ALDH1A1 (0.40) MAPTPOLBRAB9ALMNAKMT2A
SCHEMBL7575413 0.81 NFE2L2 (0.35) MAPTRAB9ALMNAKMT2AHTT
SCHEMBL7574921 0.81 ALDH1A1 (0.40) MAPTPOLBRAB9ALMNAKMT2A
SCHEMBL7575405 0.81 NFE2L2 (0.35) MAPTRAB9ALMNAKMT2AHTT
SCHEMBL7580233 0.79 PARP15 (0.38) POLBRAB9ALMNAKMT2AHTT

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