SCHEMBL9538347

SCHEMBL9538347

Nc1nc2c(ncn2CO[C@@H](O)[CH]CCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 14/20 0.66
PNP P00491 7/20 0.63
BLM P54132 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
VCP P55072 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
EDNRA P25101 1/20 0.57
HTR2A P28223 1/20 0.57
RECQL P46063 1/20 0.57
HBB P68871 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL8990305 0.81 MEN1 (0.78) HPRT1PNPBLMMEN1ALDH1A1
SCHEMBL9537422 0.81 MEN1 (0.78) HPRT1PNPBLMMEN1ALDH1A1
SCHEMBL8990372 0.81 MEN1 (0.78) HPRT1PNPBLMMEN1ALDH1A1
SCHEMBL8896055 0.81 BLM (0.71) HPRT1PNPBLMMEN1ALDH1A1
Phosphoric Acid SCHEMBL9538313 0.80 MEN1 (0.77) HPRT1PNPBLMMEN1ALDH1A1
SCHEMBL23859843 0.80 HPRT1 (1.00) HPRT1PNPBLMUSP2TSHR
SCHEMBL8712828 0.80 BLM (0.69) HPRT1PNPBLMMEN1ALDH1A1
Ganciclovir SCHEMBL1061493 0.79 BLM (0.91) HPRT1PNPBLMMEN1ALDH1A1
Ganciclovir SCHEMBL6047042 0.79 BLM (0.91) HPRT1PNPBLMMEN1ALDH1A1
SCHEMBL1732928 0.79 HPRT1 (0.67) HPRT1PNP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed