SCHEMBL821710

SCHEMBL821710

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PTAFR P25105 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL20377114 1.00 RIPK1 (0.35) RIPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL821372 0.91 KDR (0.40) RIPK1MAPTALDH1A1KMT2ACYP1A2
SCHEMBL821373 0.91 KDR (0.40) RIPK1MAPTALDH1A1KMT2ACYP1A2
SCHEMBL822077 0.88 RIPK1 (0.38) RIPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL822078 0.88 RIPK1 (0.38) RIPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL821531 0.88 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL821530 0.88 MEN1 (0.38) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL821431 0.86 INSR (0.39) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL20377174 0.86 INSR (0.39) MAPTALDH1A1KMT2AMEN1CYP1A2
SCHEMBL20377103 0.84 MEN1 (0.33) MAPTALDH1A1KMT2AMEN1CYP1A2

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
Send feedback