SCHEMBL4667844

SCHEMBL4667844

CCC(N)(CC)CCOc1cc(N)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Water SCHEMBL2921448 0.98 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5527665 0.98 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7171244 0.97 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7164894 0.97 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2930157 0.87 GAA (0.63) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7739876 0.86 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL6152413 0.86 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5528818 0.86 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2928434 0.81 GAA (0.44) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5561998 0.80 GAA (0.46) ALDH1A1MAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP claimed
EP-1203762-B1 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods OREAL (FR) 2008-07-02 EP disclosed
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
EP-0968171-B1 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-10-08 EP disclosed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP disclosed
EP-1203762-A2 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2002-05-08 EP disclosed
EP-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed