SCHEMBL821379

SCHEMBL821379

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MAPK1 P28482 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
NPC1 O15118 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 3/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 9/20 0.36
LMNA P02545 7/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MCL1 Q07820 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL821378 1.00 MAPT (0.37) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821950 0.94 MMP14 (0.37) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821951 0.94 MMP14 (0.37) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821530 0.93 MEN1 (0.38) MAPTSMN1; SMN2MAPK1NPC1MEN1
SCHEMBL821531 0.93 MEN1 (0.38) MAPTSMN1; SMN2MAPK1NPC1MEN1
SCHEMBL821309 0.90 MEN1 (0.37) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821310 0.90 MEN1 (0.37) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821296 0.90 MAPT (0.40) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821295 0.90 MAPT (0.40) MAPTSMN1; SMN2MAPK1TDP1NPC1
SCHEMBL821751 0.89 MAPT (0.42) MAPTSMN1; SMN2MAPK1TDP1NPC1

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