SCHEMBL6992857

SCHEMBL6992857

Nc1ncc2c(nnn2COC(CO)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
VCP P55072 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
NUDT1 P36639 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
SCHEMBL6987870 0.82 KDM4E (0.40) ALDH1A1
SCHEMBL9127572 0.80 PNP (0.37) BLMNUDT1
SCHEMBL6992185 0.79 TKT (0.35) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL965011 0.77 ALDH1A1 (0.46) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9243236 0.75
SCHEMBL9122750 0.74
SCHEMBL6993869 0.74 MEN1 (0.31) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9125838 0.73 KDM4E (0.35) ALDH1A1
SCHEMBL9019773 0.68 PDE3A (0.39) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9584417 0.66 ALDH1A1 (0.52) MEN1ALDH1A1LMNACYP3A4NFKB1

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