SCHEMBL821610

SCHEMBL821610

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 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
▸ MMP14 P50281 1/20 0.34
▸ KMT2A Q03164 8/20 0.34
▸ MEN1 O00255 7/20 0.34
▸ POLB P06746 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34

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
SCHEMBL821611 1.00 MAPT (0.36) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL820933 0.89 MAPT (0.34) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL820934 0.89 MAPT (0.34) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL821528 0.88 MEN1 (0.33) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL20377103 0.88 MEN1 (0.33) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL821127 0.84 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL821128 0.84 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL822078 0.83 RIPK1 (0.38) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL822077 0.83 RIPK1 (0.38) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL821295 0.81 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1

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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