SCHEMBL9834011

SCHEMBL9834011

CCOC(=O)COc1ccc(C2=NNC(=O)NC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 1/20 0.46
ALOX15 P16050 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
TBXAS1 P24557 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
LMNA P02545 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL9836985 0.84 ALOX15 (0.42) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL7327646 0.82 MAPT (0.65) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL10803307 0.79 PTPN1 (0.48) KDM4EALDH1A1MAPTHSD17B10TP53
Water SCHEMBL9837110 0.76 ALDH1A1 (0.52) KDM4EALDH1A1POLB
Water SCHEMBL9837115 0.76 ALDH1A1 (0.52) KDM4EALDH1A1POLB
SCHEMBL9835928 0.76 KMT2A (0.48) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL9267668 0.76 GAA (0.70) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL9837508 0.74 KMT2A (0.56) KDM4EALDH1A1HPGDNPSR1ADORA2A
SCHEMBL10801993 0.74 PTPN1 (0.48) KDM4EALDH1A1MAPTHSD17B10TP53
SCHEMBL10459751 0.73 ACHE (0.51) KDM4EALDH1A1POLB

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-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed