SCHEMBL821255

SCHEMBL821255

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ INSR P06213 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ APP P05067 2/20 0.49
▸ TDP1 Q9NUW8 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL821254 1.00 MAPT (0.49) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL821960 0.88 INSR (0.39) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL821961 0.88 INSR (0.39) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL821431 0.88 INSR (0.39) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL20377174 0.88 INSR (0.39) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL822077 0.84 RIPK1 (0.38) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL822078 0.84 RIPK1 (0.38) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL20377164 0.79 MAPT (0.41) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL20377163 0.79 MAPT (0.41) MAPTINSRMEN1KMT2AL3MBTL1
SCHEMBL821256 0.79 NPC1 (0.43) MAPTINSRMEN1KMT2AL3MBTL1

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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