SCHEMBL7074004

SCHEMBL7074004

O=C(Nc1ccc(Oc2cccc(C(=O)O)c2C(=O)O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(I)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 13/20 0.75
PYGM P11217 2/20 0.54
MAPT P10636 1/20 0.53
SETD7 Q8WTS6 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL30249725 0.95 PYGL (0.73) PYGLPYGMMAPTSETD7MEN1
SCHEMBL7074047 0.88 PYGL (0.66) PYGLPYGMMAPTSETD7MEN1
SCHEMBL6431786 0.86 PYGL (1.00) PYGLPYGMMAPT
SCHEMBL30249770 0.85 PYGL (0.73) PYGLPYGMMAPTMEN1KMT2A
SCHEMBL7126045 0.85 PYGL (0.73) PYGLPYGMMAPTMEN1KMT2A
SCHEMBL6431819 0.80 PYGL (1.00) PYGLPYGMMAPT
SCHEMBL6432282 0.80 PYGL (0.84) PYGLPYGMMAPTSETD7MEN1
SCHEMBL4308346 0.80 PYGL (1.00) PYGLPYGMMAPTSETD7
SCHEMBL6432277 0.79 PYGL (0.81) PYGLPYGMMAPTSETD7MEN1
SCHEMBL7126675 0.77 PYGL (0.71) PYGLPYGMMAPTMEN1KMT2A

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
JP-2003510304-A 2003-03-18 JP claimed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP claimed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO claimed