SCHEMBL18668985

SCHEMBL18668985

O=C1c2ccccc2C(=O)N1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
ALOX15 P16050 2/20 0.70
HSD17B10 Q99714 2/20 0.70
APAF1 O14727 2/20 0.70
TSHR P16473 2/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
BCHE P06276 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
MAPT P10636 1/20 0.70
ALOX12 P18054 1/20 0.70
ACHE P22303 1/20 0.70
CES1 P23141 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
CA12 O43570 3/20 0.58

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
SCHEMBL17866111 0.87 KMT2A (0.56) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL1837584 0.85 ALOX15 (0.68) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL2040789 0.85 CA12 (0.55) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL3029864 0.85 KMT2A (0.59) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL10928006 0.85 ALOX15 (0.56) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL5958272 0.85 CASP3 (0.59) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL5115439 0.85 CASP3 (0.55) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL2780391 0.84 HDAC7 (0.60) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL18668986 0.84 MAPT (0.73) ALDH1A1ALOX15HSD17B10APAF1TSHR
SCHEMBL5426477 0.83 ALDH1A1 (1.00) ALDH1A1ALOX15HSD17B10APAF1TSHR

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