SCHEMBL9057761

SCHEMBL9057761

Nc1nc2c(c(=O)[nH]1)NCN2COC(CO)CO.Nc1nc2c(c(=O)[nH]1)NCN2COCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.59
BLM P54132 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
PNP P00491 5/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE3A Q14432 1/20 0.35

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
SCHEMBL147641 0.92 HPRT1 (0.67) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL146427 0.91 HPRT1 (0.61) HPRT1BLMPNPUSP2TSHR
SCHEMBL11730994 0.89 HPRT1 (0.60) HPRT1BLMMEN1KMT2APNP
Phosphoric Acid SCHEMBL6439956 0.87 HPRT1 (0.65) HPRT1BLMPNPUSP2TSHR
Phosphoric Acid SCHEMBL11308939 0.87 HPRT1 (0.65) HPRT1BLMPNPUSP2TSHR
Phosphoric Acid SCHEMBL11310331 0.86 HPRT1 (0.64) HPRT1BLMPNPUSP2TSHR
Phosphoric Acid SCHEMBL11313332 0.86 HPRT1 (0.64) HPRT1BLMPNPUSP2TSHR
Phosphoric Acid SCHEMBL11327667 0.86 HPRT1 (0.64) HPRT1BLMPNPUSP2TSHR
SCHEMBL8842510 0.84 HPRT1 (0.58) HPRT1BLMPNPUSP2TSHR
SCHEMBL8149575 0.84 HPRT1 (0.60) HPRT1BLMMEN1ALDH1A1LMNA

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-1996022098-A1 USE OF ACYCLIC PURINE DERIVATIVES FOR TREATING RESTENOSIS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO claimed