SCHEMBL5744560

SCHEMBL5744560

COCC(=O)NNC(N)=S

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL24799736 0.80
SCHEMBL3726972 0.75 UBE2N (0.59) GAAATMLMNAALDH1A1L3MBTL1
SCHEMBL8834120 0.75
SCHEMBL13542427 0.75 TSHR (0.50) GAALMNAALDH1A1L3MBTL1HPGD
SCHEMBL3727333 0.74 GAA (0.73) GAAATMLMNAALDH1A1HPGD
SCHEMBL1544525 0.74 KMT2A (0.51) GAALMNAALDH1A1L3MBTL1HPGD
SCHEMBL12765277 0.72
SCHEMBL11285760 0.72
SCHEMBL11792946 0.72
SCHEMBL8515420 0.71 MAPT (0.55) GAAATMALDH1A1L3MBTL1HPGD

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-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed