SCHEMBL1729796

SCHEMBL1729796

CC(=O)OCCn1c(=O)c2sc3c(=O)n(CCOC(C)=O)c(=O)c3sc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
ADORA2B P29275 2/20 0.44
GAA P10253 3/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.40
SLC18A3 Q16572 1/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
IDO1 P14902 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 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
SCHEMBL1730365 0.76 ALDH1A1 (0.59) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL13863953 0.74 ALDH1A1 (0.73) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL1729644 0.73 ADORA2B (0.40) ALDH1A1ADORA2BGAANPSR1KDM4E
SCHEMBL11150271 0.71 ALDH1A1 (0.84) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL11152031 0.70 ALDH1A1 (0.82) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL11489275 0.69 ALDH1A1 (0.58) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL10371486 0.69 ALDH1A1 (0.53) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL19117419 0.67 ALDH1A1 (0.50) ALDH1A1ADORA2BGAAPOLBNPSR1
SCHEMBL3684078 0.65 ALDH1A1 (0.49) ALDH1A1ADORA2BGAAMAPTSLC18A3
SCHEMBL10830513 0.65 ALDH1A1 (0.52) ALDH1A1ADORA2BGAASLC18A3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP claimed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US claimed
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
EP-2271219-B1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-11-23 EP disclosed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP disclosed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed