SCHEMBL4935787

SCHEMBL4935787

O=[N+]([O-])c1ccc(C=Cc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.54
TLR2 O60603 2/20 0.54
CHEK2 O96017 1/20 0.49
NFE2L2 Q16236 2/20 0.49
TLR9 Q9NR96 1/20 0.48
CYP19A1 P11511 3/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
HSPB1 P04792 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 1/20 0.43

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
SCHEMBL4935784 1.00 TLR4 (0.54) TLR4TLR2CHEK2NFE2L2TLR9
SCHEMBL3247265 0.87 NFE2L2 (0.63) NFE2L2CYP19A1ALDH1A1MEN1MAPT
SCHEMBL3247258 0.87 NFE2L2 (0.63) NFE2L2CYP19A1ALDH1A1MEN1MAPT
SCHEMBL3248830 0.84 BACE1 (0.54) TLR4TLR2ALDH1A1MEN1MAPT
SCHEMBL3248827 0.84 BACE1 (0.54) TLR4TLR2ALDH1A1MEN1MAPT
SCHEMBL567173 0.84 NFE2L2 (0.64) NFE2L2TLR9CYP19A1ALDH1A1MAPT
SCHEMBL567172 0.84 NFE2L2 (0.64) NFE2L2TLR9CYP19A1ALDH1A1MAPT
SCHEMBL34473878 0.83 PELI1 (0.53) TLR4TLR2CHEK2NFE2L2TLR9
SCHEMBL13767769 0.80 ALDH1A1 (0.60) CYP19A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL3248725 0.79 NFE2L2 (0.61) NFE2L2TLR9CYP19A1ALDH1A1MEN1

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
US-20080085455-A1 Methods for storing holographic data and storage media derived therefrom GENERAL ELECTRIC COMPANY (US) 2008-04-10 US disclosed