SCHEMBL9685499

SCHEMBL9685499

CCOP(=O)(CCCCON1CNc2c1nc(N)[nH]c2=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.47
PNP P00491 9/20 0.37
NOS1 P29475 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
SCHEMBL9683728 0.97 HPRT1 (0.47) HPRT1PNPNOS1
SCHEMBL9858364 0.88 HPRT1 (0.51) HPRT1PNPNOS1
SCHEMBL9417138 0.85 HPRT1 (0.53) HPRT1PNPNOS1
SCHEMBL9683454 0.84 HPRT1 (0.61) HPRT1PNP
SCHEMBL9674751 0.83 HPRT1 (0.44) HPRT1PNPNOS1
SCHEMBL9857631 0.82 HPRT1 (0.54) HPRT1PNPNOS1
SCHEMBL9684323 0.81 HPRT1 (0.62) HPRT1PNP
SCHEMBL9685196 0.81 HPRT1 (0.46) HPRT1PNP
SCHEMBL8742819 0.79 HPRT1 (0.45) HPRT1PNPNOS1
SCHEMBL4242270 0.78 HPRT1 (0.50) HPRT1PNPNOS1

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-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP claimed
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed