SCHEMBL821648

SCHEMBL821648

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 4/20 0.35
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL821649 1.00 LMNA (0.37) LMNAGAAMAPTMAPK1TDP1
SCHEMBL821751 0.91 MAPT (0.42) LMNAMAPTMAPK1TDP1NPC1
SCHEMBL821752 0.91 MAPT (0.42) LMNAMAPTMAPK1TDP1NPC1
SCHEMBL821351 0.90 LMNA (0.36) LMNAGAAMAPTNPC1MEN1
SCHEMBL821350 0.90 LMNA (0.36) LMNAGAAMAPTNPC1MEN1
SCHEMBL821749 0.90 LMNA (0.35) LMNAGAAMAPTNPC1MEN1
SCHEMBL821750 0.90 LMNA (0.35) LMNAGAAMAPTNPC1MEN1
SCHEMBL810948 0.85 LMNA (0.43) LMNAGAAMAPTMAPK1TDP1
SCHEMBL810947 0.85 LMNA (0.43) LMNAGAAMAPTMAPK1TDP1
SCHEMBL821379 0.83 MAPT (0.37) LMNAGAAMAPTMAPK1TDP1

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