SCHEMBL20377103

SCHEMBL20377103

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 3/20 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
▸ NPBWR1 P48145 4/20 0.31
▸ USP2 O75604 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ SMARCA2 P51531 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 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
SCHEMBL821528 1.00 MEN1 (0.33) MEN1KMT2AMAPTNPC1POLB
SCHEMBL820934 0.91 MAPT (0.34) MEN1KMT2AMAPTNPC1POLB
SCHEMBL820933 0.91 MAPT (0.34) MEN1KMT2AMAPTNPC1POLB
SCHEMBL821610 0.88 MAPT (0.36) MEN1KMT2AMAPTNPC1POLB
SCHEMBL821611 0.88 MAPT (0.36) MEN1KMT2AMAPTNPC1POLB
SCHEMBL821530 0.88 MEN1 (0.38) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL821531 0.88 MEN1 (0.38) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL821710 0.84 RIPK1 (0.35) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL20377114 0.84 RIPK1 (0.35) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL821718 0.84 MEN1 (0.35) MEN1KMT2AMAPTNPC1POLB

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 1 patent. 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
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