SCHEMBL2928440

SCHEMBL2928440

Nc1ccc(N2CCC(NCCCn3cc[n+](CCCNC4CCN(c5ccc(N)cc5)C4)c3)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
GFER P55789 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
ADRA2C P18825 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32
RAD52 P43351 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.31
VCP P55072 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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 SCHEMBL6495375 0.99 KDM4E (0.32) MAPTKDM4EGAAGFERALDH1A1
SCHEMBL2923335 0.87 GAA (0.38) GAAUSP28USP25RAD52VCP
Hydrochloric Acid SCHEMBL6507436 0.86 GAA (0.37) GAAUSP28USP25RAD52VCP
SCHEMBL5964466 0.77 MAPT (0.44) MAPTKDM4EGAAGFERALDH1A1
SCHEMBL5201002 0.77 QPCT (0.41) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL5924898 0.74 HRH4 (0.47) MAPTKDM4EGAAGFERALDH1A1
SCHEMBL2927488 0.72
Hydrochloric Acid SCHEMBL6495609 0.71
Bromide SCHEMBL6495700 0.71
SCHEMBL2956801 0.71

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