SCHEMBL2925409

SCHEMBL2925409

Nc1ccc(N2CCCC2Cn2cc[n+](CCCn3cc[n+](CC4CCCN4c4ccc(N)cc4)c3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RAD52 P43351 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL6504513 0.99 KDM4E (0.32) KDM4EALDH1A1MAPTTHRBRAD52
Hydrochloric Acid SCHEMBL6507163 0.95 KDM4E (0.32) KDM4EALDH1A1MAPTTHRBRAD52
SCHEMBL2952358 0.87 GAA (0.33) RAD52
Hydrochloric Acid SCHEMBL6495184 0.86 GAA (0.32) RAD52
SCHEMBL6633118 0.83 GAA (0.32) RAD52SMN1; SMN2
Hydrochloric Acid SCHEMBL6503862 0.82 GAA (0.31) RAD52SMN1; SMN2
SCHEMBL2929791 0.80
Hydrochloric Acid SCHEMBL6495538 0.79
SCHEMBL6599862 0.77 FFAR1 (0.34) KDM4EALDH1A1MAPTTHRBRAD52
Hydrochloric Acid SCHEMBL6098623 0.76 FFAR1 (0.33) KDM4EALDH1A1MAPTTHRBRAD52

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