SCHEMBL6932446

SCHEMBL6932446

COC(=O)c1cccc(Oc2ccc(F)cc2NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.64
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PYGM P11217 2/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SETD7 Q8WTS6 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 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
SCHEMBL7126565 0.90 MAPT (0.67) PYGLMAPTMEN1KMT2APYGM
SCHEMBL6434998 0.86 PYGL (0.80) PYGLMAPTMEN1KMT2APYGM
SCHEMBL7074047 0.86 PYGL (0.66) PYGLMAPTMEN1KMT2APYGM
SCHEMBL7116503 0.80 MAPT (0.66) PYGLMAPTMEN1KMT2APYGM
SCHEMBL6432103 0.79 PYGL (0.68) PYGLMAPTMEN1KMT2APYGM
SCHEMBL4094329 0.78 KMT2A (0.66) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6434669 0.78 PYGL (1.00) PYGLMAPTPYGM
SCHEMBL30249725 0.77 PYGL (0.73) PYGLMAPTMEN1KMT2APYGM
SCHEMBL5834186 0.76 KMT2A (0.63) PYGLMAPTMEN1KMT2ARAB9A
SCHEMBL6431545 0.76 PYGL (0.86) PYGLMAPTMEN1KMT2APYGM

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