SCHEMBL3135653

SCHEMBL3135653

NC(=O)c1nccc(-c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.55
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
TNK2 Q07912 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
SCN9A Q15858 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
SCHEMBL3133778 0.82 SCN4A (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3125837 0.77 SCN9A (0.55) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL3129126 0.75 SCN4A (0.57) IKBKBMAPTMEN1KMT2AL3MBTL1
SCHEMBL3133736 0.74 MAPT (0.52) IKBKBMAPTALDH1A1LMNAHPGD
SCHEMBL3370880 0.74 SCN4A (0.69) IKBKBMAPTALDH1A1GAATNK2
SCHEMBL3131607 0.73 SCN9A (0.59) IKBKBMAPTL3MBTL1SCN9A
SCHEMBL3183738 0.73 MAPK8 (0.55) KDM4EMEN1KMT2A
SCHEMBL3129164 0.73 TLR8 (0.48) IKBKBMAPTKDM4ESCN9A
SCHEMBL3133858 0.73 SCN9A (0.53) MAPTL3MBTL1SCN9A
SCHEMBL10944795 0.72 L3MBTL1 (0.56) MAPTALDH1A1GAAHPGDLCK

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
EP-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP disclosed