SCHEMBL821951

SCHEMBL821951

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.37
MAPT P10636 12/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPK1 P28482 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RECQL P46063 1/20 0.36
NQO2 P16083 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 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
SCHEMBL821950 1.00 MMP14 (0.37) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL821378 0.94 MAPT (0.37) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL821379 0.94 MAPT (0.37) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL821531 0.93 MEN1 (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL821530 0.93 MEN1 (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL821718 0.90 MEN1 (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL821717 0.90 MEN1 (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL821138 0.90 MAPT (0.38) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL821139 0.90 MAPT (0.38) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL821131 0.89 MEN1 (0.36) MAPTALDH1A1MEN1KMT2AMAPK1

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