SCHEMBL7017392

SCHEMBL7017392

CN(C(=O)[C@@H]1CCCN1)c1cc(C(=O)O)c(=O)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.46
PARP1 P09874 3/20 0.35
DHODH Q02127 2/20 0.33
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
ELANE P08246 1/20 0.33
HCAR3 P49019 1/20 0.32
MELK Q14680 4/20 0.32
GLI1 P08151 1/20 0.31
ULK1 O75385 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7021290 0.68 SCN4A (0.54) SCN4APARP1PFKFB2PFKFB1PFKFB3
SCHEMBL18580371 0.68 SCN4A (0.65) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL16635510 0.68 SCN4A (0.53) SCN4APFKFB2PFKFB1PFKFB3ELANE
SCHEMBL4772053 0.66 SCN4A (0.43) SCN4APARP1DHODHPFKFB2PFKFB1
Hydrochloric Acid SCHEMBL7399583 0.65 SCN4A (0.60) SCN4APFKFB2PFKFB1PFKFB3GLI1
SCHEMBL255493 0.64 GLI1 (0.66) SCN4AGLI1
SCHEMBL894617 0.64 GLI1 (0.66) SCN4AGLI1
SCHEMBL490079 0.64 GLI1 (0.66) SCN4AGLI1
Proline SCHEMBL27493189 0.64 SCN4A (0.46) SCN4AGLI1
Proline SCHEMBL28198776 0.64 SCN4A (0.46) SCN4AGLI1

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

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