SCHEMBL821139

SCHEMBL821139

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
MAPK1 P28482 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MMP14 P50281 2/20 0.37
MEN1 O00255 8/20 0.37
KMT2A Q03164 8/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 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
SCHEMBL821138 1.00 MAPT (0.38) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821295 0.94 MAPT (0.40) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821296 0.94 MAPT (0.40) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821188 0.93 ALDH1A1 (0.37) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821189 0.93 ALDH1A1 (0.37) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821950 0.90 MMP14 (0.37) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821951 0.90 MMP14 (0.37) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821128 0.89 MAPT (0.43) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821127 0.89 MAPT (0.43) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL821309 0.89 MEN1 (0.37) MAPTMAPK1NPC1RAB9ASMN1; 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