SCHEMBL821342

SCHEMBL821342

CCN(CC[N+]12CCN(CC1)CC2)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20377156 1.00 KDR (0.49) KDRKDM4EALDH1A1LMNACYP1A2
SCHEMBL821359 0.91 KDR (0.60) KDRCYP1A2SMN1; SMN2
SCHEMBL821358 0.91 KDR (0.60) KDRCYP1A2SMN1; SMN2
SCHEMBL810844 0.86 KDR (0.44) KDRKDM4EALDH1A1LMNACYP1A2
SCHEMBL810845 0.86 KDR (0.44) KDRKDM4EALDH1A1LMNACYP1A2
SCHEMBL23695700 0.86 KDR (0.57) KDRKDM4EALDH1A1LMNACYP1A2
SCHEMBL821531 0.83 MEN1 (0.38) ALDH1A1LMNACYP1A2MAPTCYP2C19
SCHEMBL821530 0.83 MEN1 (0.38) ALDH1A1LMNACYP1A2MAPTCYP2C19
SCHEMBL821710 0.82 RIPK1 (0.35) KDRALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL20377114 0.82 RIPK1 (0.35) KDRALDH1A1CYP1A2MAPTCYP2C9

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