SCHEMBL9835928

SCHEMBL9835928

CCOC(=O)COc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 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
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
ALOX15 P16050 1/20 0.44
P2RY12 Q9H244 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
POLB P06746 1/20 0.42
TBXAS1 P24557 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
SCHEMBL9834522 0.82 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1HSD17B10TP53
SCHEMBL10889852 0.80 PDE3B (0.48) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL10892553 0.77 PDE3B (0.51) KMT2AALDH1A1TP53MAPTGAA
SCHEMBL9834011 0.76 KDM4E (0.48) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL9267668 0.76 GAA (0.70) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL9836605 0.74 GSTP1 (0.49) KMT2APDE3BPDE3A
SCHEMBL10855137 0.74 PDE3B (0.40) KMT2AALDH1A1PDE3BPDE3A
SCHEMBL10809454 0.73 PDE3B (0.54) KMT2AALDH1A1NPSR1PDE3BPDE3A
SCHEMBL7327646 0.72 MAPT (0.65) KMT2AKDM4EALDH1A1HSD17B10TP53
SCHEMBL12646476 0.72 GAA (0.64) KDM4EALDH1A1HSD17B10TP53MAPT

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