SCHEMBL821350

SCHEMBL821350

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2C#N)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
GAA P10253 2/20 0.36
VCAM1 P19320 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
PGR P06401 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
SCHEMBL821351 1.00 LMNA (0.36) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821749 0.94 LMNA (0.35) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821750 0.94 LMNA (0.35) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821132 0.92 MEN1 (0.36) LMNAMEN1KMT2ANPC1ALDH1A1
SCHEMBL821131 0.92 MEN1 (0.36) LMNAMEN1KMT2ANPC1ALDH1A1
SCHEMBL821999 0.91 LMNA (0.41) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL822000 0.91 LMNA (0.41) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821649 0.90 LMNA (0.37) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821648 0.90 LMNA (0.37) LMNAGAAVCAM1MEN1KMT2A
SCHEMBL821530 0.87 MEN1 (0.38) LMNAGAAMEN1KMT2ANPC1

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