SCHEMBL2928557

SCHEMBL2928557

C[N+]1(CCCOc2ccc(N)cc2N)CC[N+](C)(CCCOc2ccc(N)cc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
USP2 O75604 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CASP1 P29466 2/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
PRSS1 P07477 8/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL6150986 0.98 GAA (0.55) GAAKDM4EALDH1A1USP2MAPT
SCHEMBL2930520 0.94 KDM4E (0.54) GAAKDM4EALDH1A1USP2MAPT
Hydrochloric Acid SCHEMBL5567515 0.93 HTT (0.53) GAAKDM4EALDH1A1USP2MAPT
SCHEMBL15567545 0.93 KDM4E (0.53) GAAKDM4EALDH1A1USP2MAPT
SCHEMBL15569288 0.90 GAA (0.50) GAAKDM4EALDH1A1USP2MAPT
SCHEMBL2927526 0.89 MEN1 (0.49) GAAKDM4EALDH1A1USP2MAPT
Hydrochloric Acid SCHEMBL5566560 0.88 MEN1 (0.48) GAAKDM4EALDH1A1USP2MAPT
Hydrochloric Acid SCHEMBL7739976 0.87 KDM4E (0.50) GAAKDM4EALDH1A1USP2MAPT
SCHEMBL15567879 0.86 KDM4E (0.55) GAAKDM4EALDH1A1USP2MAPT
Hydrochloric Acid SCHEMBL7739978 0.86 KDM4E (0.49) GAAKDM4EALDH1A1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064268-B1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-30 EP 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-1064268-B1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-30 EP disclosed