SCHEMBL820933

SCHEMBL820933

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(/N=N/c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ KDR P35968 1/20 0.33
▸ POLB P06746 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ NPBWR1 P48145 8/20 0.31
▸ USP2 O75604 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMARCA2 P51531 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL820934 1.00 MAPT (0.34) MAPTMEN1KMT2AKDRPOLB
SCHEMBL20377103 0.91 MEN1 (0.33) MAPTMEN1KMT2APOLBCYP1A2
SCHEMBL821528 0.91 MEN1 (0.33) MAPTMEN1KMT2APOLBCYP1A2
SCHEMBL821611 0.89 MAPT (0.36) MAPTMEN1KMT2APOLBCYP1A2
SCHEMBL821610 0.89 MAPT (0.36) MAPTMEN1KMT2APOLBCYP1A2
SCHEMBL821189 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2AKDRPOLB
SCHEMBL821188 0.87 ALDH1A1 (0.37) MAPTMEN1KMT2AKDRPOLB
SCHEMBL821373 0.84 KDR (0.40) MAPTKMT2AKDRCYP1A2ABCG2
SCHEMBL821372 0.84 KDR (0.40) MAPTKMT2AKDRCYP1A2ABCG2
SCHEMBL821309 0.83 MEN1 (0.37) MAPTMEN1KMT2AKDRPOLB

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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