SCHEMBL3242071

SCHEMBL3242071

Nc1ccc(O)c(Cc2cc(N)ccc2O)c1.Nc1ccc(OCCO)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
CASP1 P29466 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
IDO1 P14902 2/20 0.43
PRKCI P41743 1/20 0.41
ACHE P22303 3/20 0.40
PRSS1 P07477 8/20 0.39
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC22A1 O15245 1/20 0.35

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
2,4-Diaminophenol SCHEMBL19327374 0.88 ALDH1A1 (0.56) MAPTHTTGAAMEN1USP2
SCHEMBL29358757 0.86 MAPT (0.65) MAPTHTTGAAMEN1USP2
SCHEMBL35916 0.86 MAPT (0.65) MAPTHTTGAAMEN1USP2
Hydrochloric Acid SCHEMBL29356501 0.84 GAA (0.68) MAPTHTTGAAMEN1USP2
Hydrochloric Acid SCHEMBL29378616 0.84 GAA (0.68) MAPTHTTGAAMEN1USP2
Ammonia Solution, Strong SCHEMBL27977263 0.84 MAPT (0.62) MAPTHTTGAAMEN1USP2
Hydrochloric Acid SCHEMBL33976 0.84 GAA (0.68) MAPTHTTGAAMEN1USP2
Hydrochloric Acid SCHEMBL1453993 0.84 GAA (0.68) MAPTHTTGAAMEN1USP2
Hydrochloric Acid SCHEMBL22612486 0.82 MAPT (0.61) MAPTHTTGAAMEN1USP2
SCHEMBL8091658 0.82 MAPT (0.61) MAPTHTTGAAMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209459-A1 OXIDATION DYE FOR DYEING KERATIN-CONTAINING FIBRES WITH ATMOSPHERIC OXYGEN AS THE SOLE OXIDISING AGENT Henkel AG & Co. KGaA (DE) 2010-07-28 EP disclosed
EP-2152226-A2 OXIDATION DYES FOR DYEING FIBRES CONTAINING KERATIN USING ATMOSPHERIC OXYGEN AS THE ONLY OXIDATION AGENT Henkel AG & Co. KGaA (DE) 2010-02-17 EP disclosed
WO-2009065632-A1 OXIDATION DYE FOR DYEING KERATIN-CONTAINING FIBRES WITH ATMOSPHERIC OXYGEN AS THE SOLE OXIDISING AGENT HENKEL AG & CO. KGAA (DE) 2009-05-28 WO disclosed
WO-2008151858-A2 OXIDATION DYES FOR DYEING FIBRES CONTAINING KERATIN USING ATMOSPHERIC OXYGEN AS THE ONLY OXIDATION AGENT HENKEL AG & CO. KGAA (DE) 2008-12-18 WO disclosed
EP-1858594-A1 AMMONIA-FREE OXIDATION DYE FOR DYEING KERATIN FIBERS WITH ATMOSPHERIC OXYGEN SERVING AS THE SOLE OXIDIZING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-28 EP disclosed
WO-2006097167-A1 AMMONIA-FREE OXIDATION DYE FOR DYEING KERATIN FIBERS WITH ATMOSPHERIC OXYGEN SERVING AS THE SOLE OXIDIZING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-09-21 WO disclosed