SCHEMBL4958960

SCHEMBL4958960

COC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
GAA P10253 4/20 0.77
RAB9A P51151 3/20 0.73
LMNA P02545 2/20 0.73
GLA P06280 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
HTT P42858 2/20 0.67
POLB P06746 1/20 0.66
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
MAPK1 P28482 2/20 0.60
MAPT P10636 1/20 0.59

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
SCHEMBL13709155 0.87 KMT2A (0.66) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL3595597 0.86 HTT (0.70) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL5222691 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAARAB9ALMNA
Methyl Alcohol SCHEMBL4957272 0.84 GAA (0.73) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL995085 0.84 GAA (0.77) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL1291197 0.83 TRPV1 (0.66) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL4958310 0.82 GAA (0.71) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL27657640 0.82 GAA (0.71) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL94829 0.82 GAA (0.71) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL4958300 0.82 GAA (0.71) ALDH1A1SMN1; SMN2GAARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed