SCHEMBL4054152

SCHEMBL4054152

OCCN(Cc1n[nH]c2cncnc12)C[C@@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.42
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL1948870 0.72 PNP (0.67) PNP
SCHEMBL1947955 0.72 PNP (0.67) PNP
SCHEMBL1947954 0.72 PNP (0.67) PNP
SCHEMBL10223032 0.65 GRM4 (0.37)
SCHEMBL3252229 0.64 GRM4 (0.34) ALDH1A1MAPT
SCHEMBL3279037 0.62 KDM4E (0.47) PNPALDH1A1GAAMAPTMAPK1
SCHEMBL4059956 0.62 PNP (0.35) PNP
SCHEMBL4008127 0.60 PNP (0.50) PNPALDH1A1GAAMAPTMAPK1
SCHEMBL32670384 0.60 KDM4E (0.46) PNPALDH1A1GAAMAPTMAPK1
Hydrochloric Acid SCHEMBL11700040 0.60 KDM4E (0.50) PNPALDH1A1GAAMAPTMAPK1

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
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
EP-2057165-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-05-13 EP disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed