SCHEMBL821752

SCHEMBL821752

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
MAPK1 P28482 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 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
LMNA P02545 5/20 0.34
MMP14 P50281 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
SCHEMBL821751 1.00 MAPT (0.42) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821649 0.91 LMNA (0.37) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821648 0.91 LMNA (0.37) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821379 0.89 MAPT (0.37) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821132 0.89 MEN1 (0.36) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821378 0.89 MAPT (0.37) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821131 0.89 MEN1 (0.36) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821963 0.88 KDR (0.35) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821964 0.88 KDR (0.35) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL821127 0.88 MAPT (0.43) MAPTKMT2AMEN1MAPK1TDP1

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