SCHEMBL5819263

SCHEMBL5819263

NS(=O)(=O)C(CCCO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
GRM8 O00222 4/20 0.43
GRM4 Q14833 4/20 0.43
ACP3 P15309 1/20 0.43
GRM6 O15303 3/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2997453 0.84 CA2 (0.48) CA2CA5AKMT2AL3MBTL1MEN1
SCHEMBL28769100 0.81 CA2 (0.50) CA2CA5AKMT2AL3MBTL1MEN1
SCHEMBL9550605 0.77 KMT2A (0.51) CA2CA5AKMT2AL3MBTL1MEN1
SCHEMBL9062716 0.75 KMT2A (0.49) CA2CA5AKMT2AL3MBTL1MEN1
SCHEMBL9299523 0.75 GRM8 (0.51) KMT2AL3MBTL1MEN1HPGDGRM8
SCHEMBL29866906 0.75 L3MBTL1 (0.58) CA2KMT2AL3MBTL1MEN1HPGD
SCHEMBL21200058 0.75 L3MBTL1 (0.58) CA2KMT2AL3MBTL1MEN1HPGD
SCHEMBL11786819 0.74 KMT2A (0.45) CA2CA5AKMT2AL3MBTL1MEN1
SCHEMBL11452596 0.73 L3MBTL1 (0.59) KMT2AL3MBTL1MEN1HPGDGRM8
SCHEMBL27830078 0.73 HTT (0.51) L3MBTL1GRM8GRM4ACP3GRM6

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-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 WO disclosed