SCHEMBL8662018

SCHEMBL8662018

CCOP(=O)(COC1CC(n2cnc3c(=O)[nH]c(N)nc32)C(F)C1O)OCC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 7/20 0.56
PNP P00491 4/20 0.47
FUT5 Q11128 1/20 0.44
NT5E P21589 1/20 0.44
POLB P06746 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
HINT1 P49773 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL8663828 0.89 HPRT1 (0.70) HPRT1PNPNT5EPOLBADORA3
SCHEMBL8666797 0.86 HPRT1 (0.52) HPRT1PNPFUT5NT5EPOLB
SCHEMBL8663380 0.82 AHCY (0.51) NT5E
SCHEMBL8661786 0.82 AHCY (0.51) NT5E
SCHEMBL12154574 0.79 HPRT1 (0.51) HPRT1PNPFUT5NT5EPOLB
SCHEMBL12154654 0.79 NT5E (0.51) HPRT1PNPFUT5NT5EPOLB
SCHEMBL12300885 0.79 NT5E (0.51) HPRT1PNPFUT5NT5EPOLB
SCHEMBL12154637 0.78 HPRT1 (0.47) HPRT1PNPFUT5NT5EPOLB
SCHEMBL8663157 0.78 HPRT1 (0.49) HPRT1PNPNT5EPOLBADORA3
SCHEMBL8662662 0.78 HPRT1 (0.49) HPRT1PNPNT5EPOLBADORA3

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
US-5744600-A VIRICIDES, ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-04-28 US disclosed