SCHEMBL2929100

SCHEMBL2929100

C[N+](C)(CCCCCC[N+](C)(C)C1CCN(c2ccc(N)cc2)C1)C1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
GFER P55789 4/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 3/20 0.40
RAD52 P43351 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2C P18825 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 3/20 0.37
THRB P10828 2/20 0.37
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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 SCHEMBL6494082 0.99 MAPT (0.39) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL6835209 0.96 MAPT (0.37) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2929917 0.96 MAPT (0.41) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2267999 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2266681 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2265915 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2269575 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2268631 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
SCHEMBL2272222 0.95 GRM2 (0.43) MAPTGFERKDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6493275 0.94 MAPT (0.40) MAPTGFERKDM4ESMN1; SMN2GAA

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