SCHEMBL5685016

SCHEMBL5685016

COc1ccc(-c2ccc(N)cc2O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2211964 0.83 ALDH1A1 (0.59) ALOX15MAPK1HSD17B10L3MBTL1MAPT
SCHEMBL29453576 0.83 ALDH1A1 (0.59) ALOX15MAPK1HSD17B10L3MBTL1MAPT
Hydrochloric Acid SCHEMBL15486437 0.82 ALDH1A1 (0.58) ALOX15MAPK1HSD17B10L3MBTL1MAPT
SCHEMBL5685395 0.81 TSHR (0.68) ALOX15MAPK1HSD17B10L3MBTL1MAPT
SCHEMBL5688201 0.81 KDM4E (0.50) MAPK1HSD17B10L3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL5687862 0.80 TSHR (0.66) ALOX15MAPK1HSD17B10L3MBTL1MAPT
SCHEMBL28169538 0.78 ALOX15 (0.51) ALOX15MAPK1HSD17B10L3MBTL1MAPT
SCHEMBL5688026 0.78 FYN (0.48) MAPTALDH1A1LMNA
SCHEMBL2939532 0.77 PDGFRB (0.44) MAPTALDH1A1HTTLMNAGAA
SCHEMBL5687678 0.75 KIF11 (0.54) ALOX15MAPK1HSD17B10L3MBTL1MAPT

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
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO disclosed