SCHEMBL111964

SCHEMBL111964

CCC(c1ccc(N)cc1N)c1ccc(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.43
ALDH1A1 P00352 6/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 3/20 0.40
USP2 O75604 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 5/20 0.37
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
PRKCI P41743 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL10492816 0.88 CYP3A4 (0.40) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL10492715 0.86 CASP1 (0.41) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL6940969 0.83 CASP1 (0.38) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL159093 0.83 CASP1 (0.43) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL28242552 0.81 TDP1 (0.48) ALDH1A1TP53TDP1CYP3A4THRB
SCHEMBL28258130 0.81 ALDH1A1 (0.48) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL1772000 0.81 GAA (0.43) CASP1ALDH1A1GAAMEN1KMT2A
SCHEMBL1299720 0.79 CYP3A4 (0.47) CASP1ALDH1A1GAAMAPTKDM4E
SCHEMBL27961257 0.79 ESR1 (0.42) ALDH1A1GAAMAPTUSP2TDP1
SCHEMBL28706266 0.78 CASP1 (0.39) CASP1ALDH1A1GAAMEN1KMT2A

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 810 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023179919-A1 AGENT FOR OXIDATIVELY DYEING KERATIN FIBERS, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE DEVELOPER TYPE, AT LEAST ONE OXIDATION DYE PRECURSOR OF THE COUPLER TYPE AND ISATIN HENKEL AG & CO. KGAA (DE) 2023-09-28 WO claimed
WO-2023179918-A1 MEANS FOR OXIDATIVELY DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE P-PHENYLENEDIAMINE TYPE, ISATIN AND AT LEAST ONE OXIDISING AGENT HENKEL AG & CO. KGAA (DE) 2023-09-28 WO claimed
WO-2023179921-A1 MEANS FOR OXIDATIVELY DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE DEVELOPER TYPE, ISATIN AND AT LEAST ONE DETERMINED ALKALISING AGENT HENKEL AG & CO. KGAA (DE) 2023-09-28 WO claimed
WO-2023179920-A1 MEANS FOR OXIDATIVELY DYEING KERATIN FIBRES, CONTAINING AT LEAST ONE OXIDATION DYE PRECURSOR OF THE DEVELOPER TYPE, ISATIN AND AT LEAST ONE DETERMINED COMPLEXING AGENT HENKEL AG & CO. KGAA (DE) 2023-09-28 WO claimed
WO-2021110306-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS HENKEL AG & CO. KGAA (DE) 2021-06-10 WO claimed
WO-2016020111-A1 NOVEL OXIDATION DYE INTERMEDIATES OF THE TYPE OF OXY-, THIO-, AND AZA-BIS-BENZENES HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
WO-2016020110-A1 OXY-, THIO- AND AZO- BIS-BENZENE TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
EP-2961485-A1 MULTI-TONAL ONE STEP DYES III Henkel AG&Co. KGAA (DE) 2016-01-06 EP claimed
EP-2961486-A1 MULTI-TONAL ONE STEP DYEING II Henkel AG&Co. KGAA (DE) 2016-01-06 EP claimed
WO-2014131578-A1 MULTI-TONAL ONE STEP DYEING WITH AN OXIDATION DYE FREE AGENT HENKEL AG & CO. KGAA (DE) 2014-09-04 WO claimed
EP-2734179-A2 NOVEL OXIDATION DYE PRECURSORS Henkel AG & Co. KGaA (DE) 2014-05-28 EP claimed
WO-2013124363-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-08-29 WO claimed
WO-2013064341-A2 COLOR INTENSIFICATION BY POLYQUATERNIUM HENKEL AG & CO. KGAA (DE) 2013-05-10 WO claimed
WO-2013013897-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-01-31 WO claimed
WO-2013013861-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-01-31 WO claimed
WO-2006048069-A1 OXIDATION DYE WITHOUT A DEVELOPER COMPONENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-11 WO claimed
EP-1324742-A2 OXIDATION COLORANTS CONTAINING 2-CHLORO-4-AMINOPHENOL Henkel Kommanditgesellschaft auf Aktien (DE) 2003-07-09 EP claimed
WO-2002032379-A2 OXIDATION COLORANTS CONTAINING 2-CHLORO-4-AMINOPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-25 WO claimed
WO-2002026200-A1 OXIDATION DYES WITH 2-AMINO-5-METHYLPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-04 WO claimed