SCHEMBL9569481

SCHEMBL9569481

CCOP(=O)(C=CC(O)CCN1CNc2c1nc(N)[nH]c2=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.52
PNP P00491 1/20 0.31
USP2 O75604 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOS1 P29475 1/20 0.30
PAH P00439 1/20 0.30

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
SCHEMBL9569464 0.86 HPRT1 (0.58) HPRT1PNPUSP2CASP7HSD17B10
SCHEMBL9569467 0.81 HPRT1 (0.52) HPRT1
SCHEMBL9569709 0.76 HPRT1 (0.59) HPRT1PNPUSP2CASP7HSD17B10
SCHEMBL9569639 0.75 HPRT1 (0.56) HPRT1PNP
SCHEMBL711245 0.74 HPRT1 (0.55) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL571080 0.74 HPRT1 (0.60) HPRT1USP2CASP7HSD17B10NOS1
SCHEMBL9569460 0.74 PNP (0.56) HPRT1PNP
SCHEMBL9569463 0.74 PNP (0.56) HPRT1PNP
Phosphoric Acid SCHEMBL1664405 0.73 HPRT1 (0.62) HPRT1PNP
SCHEMBL5256049 0.73 HPRT1 (0.56) HPRT1HSD17B10

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
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed