SCHEMBL5795084

SCHEMBL5795084

CCOC(=O)CCc1n[nH]c(=S)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
MAPT P10636 1/20 0.56
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 2/20 0.52
PPARG P37231 3/20 0.47
NCOA2 Q15596 3/20 0.47
NCOA1 Q15788 3/20 0.47
NCOA3 Q9Y6Q9 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5791378 0.78 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL17285533 0.76 ALDH1A1 (0.61) ALDH1A1MAPTPPARGNCOA2NCOA1
SCHEMBL25310305 0.73 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL17285587 0.73 ALDH1A1 (0.57) ALDH1A1MAPTPPARGNCOA2NCOA1
SCHEMBL5307615 0.72 MAPT (0.54) ALDH1A1MAPTKDM4EHSD17B10PPARG
SCHEMBL5269625 0.72 POLB (0.54) ALDH1A1MAPTKDM4ELMNAPPARG
SCHEMBL5793071 0.71 MAPT (0.56) ALDH1A1MAPTKDM4EHSD17B10PPARG
Potassium Ion SCHEMBL5793720 0.71 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHSD17B10LMNA
SCHEMBL6320498 0.71 ALDH1A1 (0.56) ALDH1A1MAPTPPARGNCOA2NCOA1
Potassium Ion SCHEMBL5793717 0.70 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHSD17B10LMNA

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-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 WO disclosed