SCHEMBL822000

SCHEMBL822000

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
GAA P10253 3/20 0.41
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.32
PGR P06401 2/20 0.31
FFAR2 O15552 1/20 0.31
RECQL P46063 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
SCHEMBL821999 1.00 LMNA (0.41) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL821530 0.91 MEN1 (0.38) LMNAGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL821531 0.91 MEN1 (0.38) LMNAGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL821351 0.91 LMNA (0.36) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL821350 0.91 LMNA (0.36) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL820799 0.91 LMNA (0.42) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL820800 0.91 LMNA (0.42) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL810948 0.90 LMNA (0.43) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL810947 0.90 LMNA (0.43) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL821717 0.88 MEN1 (0.35) LMNAGAAALDH1A1MAPTSMN1; SMN2

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