SCHEMBL3245049

SCHEMBL3245049

COc1ccc(NCCO)cc1N.Cc1cc(O)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
THRB P10828 3/20 0.43
ALOX15 P16050 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
BLM P54132 1/20 0.40
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL29358077 0.87 GAA (0.47) ALDH1A1THRBTDP1CYP3A4MAPT
SCHEMBL36033 0.87 GAA (0.47) ALDH1A1THRBTDP1CYP3A4MAPT
Hydrochloric Acid SCHEMBL28434861 0.85 ALDH1A1 (0.47) ALDH1A1THRBTDP1CYP3A4MAPT
Hydrochloric Acid SCHEMBL6573892 0.85 ALDH1A1 (0.47) ALDH1A1THRBTDP1CYP3A4MAPT
SCHEMBL5365519 0.82 BCL6 (0.43) ALDH1A1THRBCYP3A4MAPTMEN1
SCHEMBL6702756 0.81 BCL6 (0.41) ALDH1A1THRBCYP3A4MAPTMEN1
Sulfuric Acid SCHEMBL143437 0.80 CA1 (0.48) ALDH1A1THRBTDP1CYP3A4MAPT
Sulfuric Acid SCHEMBL29873108 0.80 CA1 (0.48) ALDH1A1THRBTDP1CYP3A4MAPT
SCHEMBL6342530 0.79 ALDH1A1 (0.54) ALDH1A1THRBALOX15RECQLTDP1
Sulfuric Acid SCHEMBL6573987 0.79 CA1 (0.47) ALDH1A1THRBTDP1CYP3A4MAPT

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 8 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
EP-2037871-A1 OXIDATION DYES FOR DYEING KERATIN FIBERS CONTAINING ATMOSPHERIC OXYGEN AS THE ONLY OXIDIZING AGENT Henkel AG & Co. KGaA (DE) 2009-03-25 EP 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
WO-2008003686-A1 OXIDATION DYES FOR DYEING KERATIN FIBERS CONTAINING ATMOSPHERIC OXYGEN AS THE ONLY OXIDIZING AGENT HENKEL AG & CO. KGAA (DE) 2008-01-10 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