SCHEMBL821295

SCHEMBL821295

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 11/20 0.36
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
POLB P06746 4/20 0.36
LMNA P02545 4/20 0.35
MMP14 P50281 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL821296 1.00 MAPT (0.40) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821138 0.94 MAPT (0.38) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821139 0.94 MAPT (0.38) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821189 0.93 ALDH1A1 (0.37) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821188 0.93 ALDH1A1 (0.37) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821378 0.90 MAPT (0.37) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821379 0.90 MAPT (0.37) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821128 0.89 MAPT (0.43) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821127 0.89 MAPT (0.43) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL821718 0.89 MEN1 (0.35) MAPTL3MBTL1TDP1MAPK1SMN1; SMN2

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-2399569-B1 Cationic azo dyes with a special grouping of the 4-Aza-1-azoniabicyclo[2.2.2]octane and means of colouring keratinic fibres HENKEL AG & CO KGAA (DE) 2018-07-18 EP claimed
EP-2399569-A2 Cationic azo dyes with a special grouping of the 4-Aza-1-azoniabicyclo[2.2.2]octane and means of colouring keratinic fibres Henkel AG & Co. KGaA (DE) 2011-12-28 EP claimed
EP-2399569-B1 Cationic azo dyes with a special grouping of the 4-Aza-1-azoniabicyclo[2.2.2]octane and means of colouring keratinic fibres HENKEL AG & CO KGAA (DE) 2018-07-18 EP disclosed
EP-2399569-A2 Cationic azo dyes with a special grouping of the 4-Aza-1-azoniabicyclo[2.2.2]octane and means of colouring keratinic fibres Henkel AG & Co. KGaA (DE) 2011-12-28 EP disclosed