SCHEMBL2926121

SCHEMBL2926121

C[N+](C)(CCCCCC[N+](C)(C)C1CC(CO)N(c2ccc(N)cc2)C1)C1CC(CO)N(c2ccc(N)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL6503157 0.99 GRM2 (0.30) GRM2KDM4EGAAMAPTRAD52
Hydrochloric Acid SCHEMBL6096093 0.84 KDM4E (0.33) KDM4EGAAMAPTRAD52GFER
SCHEMBL2929862 0.80 SYK (0.34) GRM2GFER
Hydrochloric Acid SCHEMBL6503630 0.79 SYK (0.33) GRM2GFER
SCHEMBL5850115 0.73 GBA1 (0.37) KDM4EGAAMAPTRAD52GFER
SCHEMBL6602243 0.72 KDM4E (0.32) KDM4EGAAMAPTRAD52GFER
Hydrochloric Acid SCHEMBL6097578 0.71 KDM4E (0.31) KDM4EGAAMAPTRAD52GFER
Hydrochloric Acid SCHEMBL6097092 0.71 KDM4E (0.31) KDM4EGAAMAPTRAD52GFER
SCHEMBL2929100 0.70 MAPT (0.40) GRM2KDM4EGAAMAPTRAD52
Hydrochloric Acid SCHEMBL6494082 0.69 MAPT (0.39) GRM2KDM4EGAAMAPTRAD52

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-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 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-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 EP disclosed