SCHEMBL8884730

SCHEMBL8884730

Nc1nc2ncn(COC(CO)CO)c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.67
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
CYP3A4 P08684 1/20 0.67
NFKB1 P19838 1/20 0.67
VCP P55072 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
PDE3A Q14432 1/20 0.50
HPRT1 P00492 10/20 0.46
PNP P00491 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9539282 0.88 MEN1 (0.53) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL9539314 0.88 MEN1 (0.53) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL9539258 0.88 MEN1 (0.53) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL9019822 0.84 MEN1 (0.48) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL2464875 0.84 PDE3A (0.50) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL48362 0.81 TK1 (0.51) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL1665132 0.81 TK1 (0.47) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL6691912 0.81 PNP (0.67) BLMALDH1A1SMN1; SMN2MEN1LMNA
Ganciclovir SCHEMBL2160505 0.80 BLM (1.00) BLMALDH1A1SMN1; SMN2MEN1LMNA
Ganciclovir SCHEMBL3033 0.80 BLM (1.00) BLMALDH1A1SMN1; SMN2MEN1LMNA

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
US-5648489-A PREPARING 9-((1,3-DIHYDROXY-2-PROPOXY)METHYL)GUANINE FROM A PROTECTED GUANINE AND 2-ACETOXYMETHOXY-1,3-DIACETOXYPROPANE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 1997-07-15 US disclosed
US-5583225-A REACTING N2, N9-DIPROTECTED GUANINE WITH DIACETOXYPROPANE IN THE PRESENCE OF A MIXTURE OF AN ACID AND ACETIC ANHYDRIDE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-12-10 US disclosed