SCHEMBL821749

SCHEMBL821749

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
S1PR1 P21453 1/20 0.33
VCAM1 P19320 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL821750 1.00 LMNA (0.35) LMNAGAAS1PR1VCAM1ALDH1A1
SCHEMBL821351 0.94 LMNA (0.36) LMNAGAAVCAM1ALDH1A1MEN1
SCHEMBL821350 0.94 LMNA (0.36) LMNAGAAVCAM1ALDH1A1MEN1
SCHEMBL821963 0.92 KDR (0.35) LMNAS1PR1ALDH1A1KDRMEN1
SCHEMBL821964 0.92 KDR (0.35) LMNAS1PR1ALDH1A1KDRMEN1
SCHEMBL821648 0.90 LMNA (0.37) LMNAGAAVCAM1ALDH1A1MEN1
SCHEMBL821649 0.90 LMNA (0.37) LMNAGAAVCAM1ALDH1A1MEN1
SCHEMBL820799 0.89 LMNA (0.42) LMNAGAAVCAM1ALDH1A1KDR
SCHEMBL820800 0.89 LMNA (0.42) LMNAGAAVCAM1ALDH1A1KDR
SCHEMBL821309 0.87 MEN1 (0.37) LMNAGAAALDH1A1KDRMEN1

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