SCHEMBL821189

SCHEMBL821189

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 2/20 0.37
KDR P35968 1/20 0.37
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP14 P50281 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33

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
SCHEMBL821188 1.00 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821310 0.93 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821717 0.93 MEN1 (0.35) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821718 0.93 MEN1 (0.35) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821309 0.93 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821138 0.93 MAPT (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821296 0.93 MAPT (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821139 0.93 MAPT (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821295 0.93 MAPT (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL821066 0.92 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2APOLB

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