SCHEMBL7657282

SCHEMBL7657282

O=C(Nc1ccccc1Nc1c(Cc2ccccc2)ccc(C(=O)O)c1C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.55
PYGM P11217 2/20 0.55
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
THRA P10827 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7126670 0.81 PYGL (0.63) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL4092971 0.76 KMT2A (0.71) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL2271993 0.75 ALDH1A1 (0.61) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL7116140 0.75 PYGL (0.66) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL7118351 0.74 PYGL (0.54) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL4950322 0.73 AKR1C4 (0.69) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL29472407 0.73 AKR1C4 (0.69) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL30249770 0.73 PYGL (0.73) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL7126045 0.73 PYGL (0.73) PYGLPYGMALDH1A1MAPTMEN1
SCHEMBL14075256 0.73 KMT2A (0.62) PYGLPYGMALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed