SCHEMBL2930157

SCHEMBL2930157

CCC(N)(CC)CCOc1ccc(N)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
USP2 O75604 2/20 0.63
CASP1 P29466 2/20 0.63
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.63
HTT P42858 1/20 0.63
CASP7 P55210 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
PRSS1 P07477 8/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
Hydrochloric Acid SCHEMBL6152413 0.98 GAA (0.66) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL7739876 0.98 GAA (0.66) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL5528818 0.98 GAA (0.66) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL4667844 0.87 ALDH1A1 (0.46) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL5527665 0.86 ALDH1A1 (0.49) GAAALDH1A1KDM4EMAPTUSP2
Water SCHEMBL2921448 0.86 ALDH1A1 (0.45) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL18179789 0.85 GAA (0.65) GAAALDH1A1KDM4EMAPTUSP2
SCHEMBL18179788 0.85 GAA (0.64) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL7164894 0.84 ALDH1A1 (0.47) GAAALDH1A1KDM4EMAPTUSP2
Hydrochloric Acid SCHEMBL7171244 0.84 ALDH1A1 (0.47) GAAALDH1A1KDM4EMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP claimed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP claimed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 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-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO disclosed