SCHEMBL7398699

SCHEMBL7398699

O=C(O)CC(Cn1cnc2c(=O)[nH]cnc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.54
PNP P00491 1/20 0.47

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
SCHEMBL455645 0.79 HPRT1 (0.62) HPRT1PNP
SCHEMBL7396925 0.78 ALDH1A1 (0.70)
SCHEMBL11254078 0.77 HPRT1 (0.59) HPRT1PNP
SCHEMBL11471970 0.76 HPRT1 (0.58) HPRT1PNP
SCHEMBL7146529 0.76 HPRT1 (0.58) HPRT1PNP
SCHEMBL8839795 0.73 HDAC6 (0.52)
SCHEMBL11258920 0.72 HPRT1 (0.69) HPRT1PNP
SCHEMBL4559994 0.72 HPRT1 (0.52) HPRT1PNP
SCHEMBL24239249 0.71 HPRT1 (0.63) HPRT1PNP
SCHEMBL1993930 0.71 HPRT1 (0.63) HPRT1PNP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522082-B1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1997-07-02 EP disclosed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed
US-5091432-A Synergistic SPECTRUM PHARMACEUTICALS, INC. 1992-02-25 US disclosed
WO-1991014434-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1991-10-03 WO disclosed