SCHEMBL6573557

SCHEMBL6573557

O=[N+]([O-])Nc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
NPC1 O15118 3/20 0.41
KCNMA1 Q12791 1/20 0.41
GAA P10253 5/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
DDX3X O00571 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
S100A4 P26447 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL30335 0.80 NPC1 (0.49) GPR35NPC1KCNMA1GAAPOLB
SCHEMBL70533 0.80 GPR35 (0.75) GPR35LMNATDP1ALDH1A1S100A4
SCHEMBL7568232 0.79 GPR35 (0.53) GPR35NPC1GAAPOLBMAPT
SCHEMBL7616287 0.78 TSHR (0.42) GPR35NPC1KCNMA1GAAPOLB
SCHEMBL18037665 0.76 GPR35 (0.50) GPR35NPC1KCNMA1GAAPOLB
SCHEMBL8749191 0.76 GPR35 (0.50) GPR35GAAPOLBMAPTTDP1
SCHEMBL9370714 0.75 GPR35 (0.49) GPR35NPC1KCNMA1GAAPOLB
SCHEMBL4363348 0.75 GPR35 (0.60) GPR35GAAMAPTTDP1ALDH1A1
SCHEMBL8026294 0.73 DDX3X (0.63) GAAMAPTDDX3XALDH1A1MEN1
SCHEMBL16979 0.72 GPR35 (1.00) GPR35KCNMA1TDP1ALDH1A1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040237383-A1 Combustion modifiers for water-blended fuels LUBRIZOL CORPORATION, THE 2004-12-02 US disclosed
EP-1408788-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2004-04-21 EP disclosed
WO-2002068334-A1 COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS THE LUBRIZOL CORPORATION (US) 2002-09-06 WO disclosed