SCHEMBL7579581

SCHEMBL7579581

Cc1ccc(C#CCN=Cc2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
G6PD P11413 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
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

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
SCHEMBL7573432 0.88 G6PD (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7573427 0.88 G6PD (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7571852 0.87 NFE2L2 (0.47) ACHEMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7571219 0.83 ACHE (0.47) SLC2A1ACHEHSD17B10MAPTMEN1
SCHEMBL7580233 0.81 PARP15 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7580227 0.81 PARP15 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7575413 0.81 NFE2L2 (0.35) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7575405 0.81 NFE2L2 (0.35) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7573148 0.78 GRIN2D (0.44) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL7573146 0.78 GRIN2D (0.44) MAPTMEN1KMT2AALDH1A1NPC1

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