SCHEMBL822078

SCHEMBL822078

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2nc3cc([N+](=O)[O-])ccc3s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.38
▸ INSR P06213 3/20 0.37
▸ MAPT P10636 9/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL822077 1.00 RIPK1 (0.38) RIPK1INSRMAPTRAB9AL3MBTL1
SCHEMBL821373 0.89 KDR (0.40) RIPK1MAPTRAB9ANPC1MAPK1
SCHEMBL821372 0.89 KDR (0.40) RIPK1MAPTRAB9ANPC1MAPK1
SCHEMBL821710 0.88 RIPK1 (0.35) RIPK1MAPTRAB9ANPC1MAPK1
SCHEMBL20377114 0.88 RIPK1 (0.35) RIPK1MAPTRAB9ANPC1MAPK1
SCHEMBL821255 0.84 MAPT (0.49) INSRMAPTRAB9AL3MBTL1NPC1
SCHEMBL821254 0.84 MAPT (0.49) INSRMAPTRAB9AL3MBTL1NPC1
SCHEMBL821127 0.84 MAPT (0.43) MAPTRAB9AL3MBTL1NPC1MAPK1
SCHEMBL821128 0.84 MAPT (0.43) MAPTRAB9AL3MBTL1NPC1MAPK1
SCHEMBL821610 0.83 MAPT (0.36) MAPTRAB9AL3MBTL1NPC1MAPK1

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
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