SCHEMBL810845

SCHEMBL810845

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.44
▸ MAPT P10636 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LMNA P02545 4/20 0.35
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 2/20 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
SCHEMBL810844 1.00 KDR (0.44) KDRMAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL821358 0.87 KDR (0.60) KDRSMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL821359 0.87 KDR (0.60) KDRSMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL20377156 0.86 KDR (0.49) KDRMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL821342 0.86 KDR (0.49) KDRMAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL15827073 0.84 KDR (0.54) KDRMAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL11616761 0.84 KDR (0.53) KDRMAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL15827084 0.82 KDR (0.60) KDRMAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL821128 0.82 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1TDP1MAPK1
SCHEMBL821127 0.82 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1TDP1MAPK1

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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