SCHEMBL8666797

SCHEMBL8666797

CCOP(=O)(COC1CC(F)C(n2cnc3c(=O)[nH]c(N)nc32)C1)OCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.52
PNP P00491 4/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NT5E P21589 1/20 0.41
FUT5 Q11128 1/20 0.40

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
SCHEMBL8665197 0.87 HPRT1 (0.68) HPRT1PNPNT5E
SCHEMBL8662018 0.86 HPRT1 (0.56) HPRT1PNPPOLBNT5EFUT5
SCHEMBL8663734 0.81 AHCY (0.47)
SCHEMBL8662391 0.81 AHCY (0.47)
SCHEMBL8663157 0.81 HPRT1 (0.49) HPRT1PNPPOLBMEN1KMT2A
SCHEMBL8662662 0.81 HPRT1 (0.49) HPRT1PNPPOLBMEN1KMT2A
SCHEMBL13531167 0.78 HPRT1 (0.48) HPRT1PNPPOLBMEN1KMT2A
SCHEMBL12300885 0.78 NT5E (0.51) HPRT1PNPPOLBNT5EFUT5
SCHEMBL12154654 0.78 NT5E (0.51) HPRT1PNPPOLBNT5EFUT5
SCHEMBL12154637 0.77 HPRT1 (0.47) HPRT1PNPPOLBNT5EFUT5

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