SCHEMBL821373

SCHEMBL821373

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.40
▸ RIPK1 Q13546 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACP1 P24666 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ APOBEC3A P31941 1/20 0.30
▸ APOBEC3G Q9HC16 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
SCHEMBL821372 1.00 KDR (0.40) KDRRIPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL20377114 0.91 RIPK1 (0.35) KDRRIPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL821710 0.91 RIPK1 (0.35) KDRRIPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL822077 0.89 RIPK1 (0.38) RIPK1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL822078 0.89 RIPK1 (0.38) RIPK1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL821189 0.87 ALDH1A1 (0.37) KDRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL821188 0.87 ALDH1A1 (0.37) KDRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL821961 0.85 INSR (0.39) KDRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL821960 0.85 INSR (0.39) KDRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL820933 0.84 MAPT (0.34) KDRMAPTALDH1A1SMN1; SMN2MAPK1

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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