SCHEMBL820799

SCHEMBL820799

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 8/20 0.39
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDR P35968 1/20 0.33
VCAM1 P19320 1/20 0.33
POLB P06746 2/20 0.32
RECQL P46063 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP14 P50281 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL820800 1.00 LMNA (0.42) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821188 0.91 ALDH1A1 (0.37) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821189 0.91 ALDH1A1 (0.37) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL822000 0.91 LMNA (0.41) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821999 0.91 LMNA (0.41) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL810947 0.90 LMNA (0.43) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL810948 0.90 LMNA (0.43) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821749 0.89 LMNA (0.35) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821750 0.89 LMNA (0.35) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL821309 0.87 MEN1 (0.37) LMNAGAAALDH1A1MAPTMEN1

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