SCHEMBL9417201

SCHEMBL9417201

Nc1nc2c(ncn2OCC(CO)OCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 16/20 0.58
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
BLM P54132 1/20 0.56
VCP P55072 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
PDE3A Q14432 1/20 0.50
PNP P00491 2/20 0.49

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
SCHEMBL9555507 1.00 HPRT1 (0.58) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9555352 1.00 HPRT1 (0.58) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9417143 0.88 MEN1 (0.52) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9858092 0.84 HPRT1 (0.66) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL84257 0.83 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9175736 0.83 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL173060 0.83 HPRT1 (0.81) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9858169 0.82 HPRT1 (0.73) HPRT1PNP
SCHEMBL9417147 0.82 CYP3A4 (0.42) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9684414 0.82 HPRT1 (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 EP claimed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US claimed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP claimed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP claimed
JP-3017090-A None JP disclosed
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 EP disclosed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
JP-H0317090-A NOVEL COMPOUND, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING SUCH COMPOUND BEECHAM GROUP PLC 1991-01-25 JP disclosed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP disclosed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP disclosed