SCHEMBL821964

SCHEMBL821964

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSP90AA1 P07900 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MMP14 P50281 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR1 P21453 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
SCHEMBL821963 1.00 KDR (0.35) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821132 0.94 MEN1 (0.36) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL821131 0.94 MEN1 (0.36) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL821310 0.93 MEN1 (0.37) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821309 0.93 MEN1 (0.37) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821749 0.92 LMNA (0.35) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821750 0.92 LMNA (0.35) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821188 0.90 ALDH1A1 (0.37) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821189 0.90 ALDH1A1 (0.37) KDRMEN1KMT2ANPC1MAPT
SCHEMBL821717 0.89 MEN1 (0.35) KDRMEN1KMT2ANPC1MAPT

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