SCHEMBL6987870

SCHEMBL6987870

CC(=O)OCC(COC(C)=O)OCn1nnc2nc(N)ncc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRA1A P35348 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE3A Q14432 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL9125838 0.82 KDM4E (0.35) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6992857 0.82 MEN1 (0.38) ALDH1A1
SCHEMBL9412508 0.81 TSHR (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8210030 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6988670 0.75 TKT (0.31)
SCHEMBL10645986 0.71 ALDH1A1 (0.69) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9122750 0.70
SCHEMBL9127572 0.70 PNP (0.37) HSD17B10
SCHEMBL8205815 0.70 ALDH1A1 (0.38) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8777016 0.69 ALDH1A1 (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10

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-0589335-B1 N1-Substituted- (1H)-1,2,3-Triazolo (4,5-d) pyrimidines, process for their preparation and their use as antiviral means HOECHST AG (DE) 2003-06-18 EP disclosed
US-5457091-A N1-substituted 1H-1,2,3-triazolo[4,5,-D]pyrimidines, a process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0589335-A1 N1-Substituted- (1H)-1,2,3-Triazolo (4,5-d) pyrimidines, process for their preparation and their use as antiviral means HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-30 EP disclosed