SCHEMBL821132

SCHEMBL821132

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 3/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL821131 1.00 MEN1 (0.36) MEN1KMT2ANPC1MAPTHSP90AA1
SCHEMBL821963 0.94 KDR (0.35) MEN1KMT2ANPC1MAPTHSP90AA1
SCHEMBL821964 0.94 KDR (0.35) MEN1KMT2ANPC1MAPTHSP90AA1
SCHEMBL821530 0.93 MEN1 (0.38) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL821531 0.93 MEN1 (0.38) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL821351 0.92 LMNA (0.36) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL821350 0.92 LMNA (0.36) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL821310 0.90 MEN1 (0.37) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL821309 0.90 MEN1 (0.37) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL821950 0.89 MMP14 (0.37) MEN1KMT2ANPC1MAPTHSP90AA1

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