SCHEMBL14465239

SCHEMBL14465239

O=[N+]([O-])c1cccnc1Nc1ccc(O)nc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
MAPK1 P28482 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 3/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
GAA P10253 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL5022935 0.85 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL23927084 0.84 MAPT (0.60) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL30079650 0.84 MAPT (0.60) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL29241859 0.82 MAPT (0.68) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6791419 0.82 MAPT (0.60) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL6347219 0.81 MEN1 (0.62) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL15954978 0.81 MAPT (0.56) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL29580711 0.81 MAPT (0.56) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL29180302 0.81 MAPT (0.59) MAPTRAB9ANPC1MAPK1NFKB1
SCHEMBL2177925 0.80 MAPT (0.69) MAPTRAB9ANPC1MAPK1NFKB1

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-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 WO disclosed