Demeton S

Demeton S

SCHEMBL6047076

CCOP(=O)(OCC)SCCSCC.c1ccc(-c2cnc3ccccc3n2)cc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39

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
Demeton S SCHEMBL11353108 0.74 ACHE (0.45)
Ether SCHEMBL142502 0.73 NPC1 (0.69) NPC1MAPTKDM4ERAB9ASMN1; SMN2
Demeton S SCHEMBL6547261 0.73 NPSR1 (0.47) NPSR1
SCHEMBL11076390 0.72 MAPT (0.43) NPC1MAPTKDM4ERAB9ASMN1; SMN2
Demeton S SCHEMBL117918 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1
Demeton S SCHEMBL6732303 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1
SCHEMBL29371290 0.70 NPC1 (0.71) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL87505 0.70 NPC1 (0.71) NPC1MAPTKDM4ERAB9ASMN1; SMN2
Demeton S SCHEMBL9344632 0.70 ALDH1A1 (0.46) ALDH1A1
Methylamine SCHEMBL27992977 0.69 NPC1 (0.65) NPC1MAPTKDM4ERAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713101-B1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME UNIV YAMAGUCHI (JP) 2012-10-31 EP disclosed
EP-1713101-A1 ELECTRODE FOR ENERGY STORAGE DEVICE AND PROCESS FOR PRODUCING THE SAME Yamaguchi University (JP) 2006-10-18 EP disclosed