SCHEMBL18669019

SCHEMBL18669019

[N-]=[N+]=Nc1cccc2c1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
APAF1 O14727 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
KMT2A Q03164 5/20 0.40

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
SCHEMBL18669032 0.83 KDM4E (0.46) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL18668986 0.79 MAPT (0.73) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL18668985 0.77 ALDH1A1 (0.70) MAPTAPAF1ALDH1A1ALOX15HSD17B10
SCHEMBL18668972 0.76 MAPT (0.43) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL18669037 0.74 CA9 (0.67) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL18669229 0.71 AHR (0.47) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL4371112 0.70 APAF1 (0.50) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL10999972 0.68 CHRM5 (0.71) MAPTAPAF1ALDH1A1ALOX15HSD17B10
SCHEMBL18669189 0.68 MAPT (0.43) MAPTKDM4EMAPK1APAF1ALDH1A1
SCHEMBL19052105 0.68 MAPT (0.50) MAPTKDM4EMAPK1APAF1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed