SCHEMBL11044219

SCHEMBL11044219

O=[N+]([O-])c1cccc(C=CCOCC=Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.63
FBP1 P09467 2/20 0.61
VCP P55072 1/20 0.61
CYP19A1 P11511 1/20 0.61
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GLO1 Q04760 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL27696468 0.91 NFE2L2 (0.56) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL18551756 0.88 NFE2L2 (0.61) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.82 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL6158116 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL4632192 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL2770622 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL5756050 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3028232 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL4632191 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3028231 0.82 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59044343-A None JP disclosed
JP-59157059-A None JP disclosed
JP-S59157059-A PREPARATION OF M-NITROPHENOL MITSUI TOATSU CHEM INC 1984-09-06 JP disclosed
JP-S5944343-A PREPARATION OF M-NITROPHENYLALKYL ETHER MITSUI TOATSU CHEM INC 1984-03-12 JP disclosed