SCHEMBL13475199

SCHEMBL13475199

O=[N+](O)c1ccc(/N=N/c2c(O)ccc3ccccc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.52
MAPT P10636 7/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
HIF1A Q16665 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MPL P40238 2/20 0.46
CTRC Q99895 2/20 0.46

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
SCHEMBL306052 0.89 CYP1A2 (0.56) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL306051 0.89 CYP1A2 (0.56) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL29350795 0.89 CYP1A2 (0.56) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL13474931 0.88 THRB (0.54) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL11699196 0.82 THRB (0.59) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL11699193 0.82 THRB (0.59) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL17804074 0.80 THRB (0.76) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL28136394 0.79 MAPT (0.68) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL11023723 0.78 CYP1A2 (0.59) THRBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL30124927 0.78 CYP1A2 (0.59) THRBMAPTL3MBTL1MAPK1KDM4E

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-20100047426-A1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPOSITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2010-02-25 US disclosed