SCHEMBL821431

SCHEMBL821431

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2nc3cc(OC)ccc3s2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 2/20 0.39
▸ MAPT P10636 7/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ APP P05067 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL20377174 1.00 INSR (0.39) INSRMAPTMEN1KMT2AL3MBTL1
SCHEMBL821961 0.91 INSR (0.39) INSRMAPTMEN1KMT2AL3MBTL1
SCHEMBL821960 0.91 INSR (0.39) INSRMAPTMEN1KMT2AL3MBTL1
SCHEMBL821254 0.88 MAPT (0.49) INSRMAPTMEN1KMT2AL3MBTL1
SCHEMBL821255 0.88 MAPT (0.49) INSRMAPTMEN1KMT2AL3MBTL1
SCHEMBL20377114 0.86 RIPK1 (0.35) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL821710 0.86 RIPK1 (0.35) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL20377180 0.81 INSR (0.34) INSRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20377178 0.81 INSR (0.34) INSRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20377130 0.79 MAPT (0.38) INSRMAPTMEN1KMT2AL3MBTL1

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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