SCHEMBL4768941

SCHEMBL4768941

COC(=O)C1C=NC(N)=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 2/20 0.30
DNTT P04053 1/20 0.30
POLA1 P09884 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
Hydrochloric Acid SCHEMBL10949169 0.67 DNTT (0.33) POLBDNTTPOLA1
SCHEMBL6873744 0.61 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL7929530 0.59 DNTT (0.37) ALDH1A1POLBDNTTPOLA1
SCHEMBL17322451 0.58 ALDH1A1 (0.40) ALDH1A1POLBDNTTPOLA1
SCHEMBL23364360 0.56 SETD7 (0.36) ALDH1A1POLBDNTT
SCHEMBL72876 0.56 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10682082 0.56 ALDH1A1 (0.35) ALDH1A1DNTT
SCHEMBL1820973 0.56 DNTT (0.34) ALDH1A1POLBDNTTPOLA1
SCHEMBL31534656 0.55 DNTT (0.51) ALDH1A1POLBDNTTPOLA1
SCHEMBL3058806 0.55 DNTT (0.40) ALDH1A1POLBDNTTPOLA1

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
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO disclosed