SCHEMBL14919145

SCHEMBL14919145

O=C(O)C(Cc1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 1/20 0.51
KDM4A O75164 1/20 0.51
MME P08473 1/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL14919146 1.00 MAPT (0.51) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL6615901 0.92 RAB9A (0.53) GAAMEN1KMT2AMAPK1TDP1
SCHEMBL6615905 0.92 RAB9A (0.53) GAAMEN1KMT2AMAPK1TDP1
SCHEMBL1654194 0.89 KDM4A (0.46) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL21410824 0.89 ALDH1A1 (0.53) MAPTGAAMEN1KMT2ATDP1
SCHEMBL21410822 0.89 ALDH1A1 (0.53) MAPTGAAMEN1KMT2ATDP1
SCHEMBL14933701 0.86 MAPK1 (0.49) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL5582439 0.81 MEN1 (0.54) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL5582440 0.81 MEN1 (0.54) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL28447871 0.81 MME (0.52) MAPTMEN1KMT2AMMEPPARG

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-2013066838-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed