SCHEMBL17786455

SCHEMBL17786455

COc1ccc(-c2oc3ccc(N)cc3c(=O)c2O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.76
KDM4E B2RXH2 5/20 0.76
CYP3A4 P08684 5/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
CASP1 P29466 4/20 0.76
CASP7 P55210 4/20 0.76
ALDH1A1 P00352 3/20 0.76
TP53 P04637 7/20 0.72
LMNA P02545 3/20 0.72
HSD17B10 Q99714 3/20 0.72
HPGD P15428 2/20 0.72
ABCB1 P08183 3/20 0.67
ABCG2 Q9UNQ0 4/20 0.65
RXFP1 Q9HBX9 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
CSNK2A2 P19784 2/20 0.55

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
SCHEMBL17786563 0.88 MAPT (0.76) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL5138212 0.86 MAPT (1.00) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL30667444 0.86 MAPT (1.00) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL4648874 0.86 ABCG2 (0.82) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL17786386 0.86 ABCB1 (0.76) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL25235022 0.86 ABCB1 (0.79) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL30397364 0.86 ABCB1 (0.79) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL30667420 0.85 MAPT (0.76) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL1422017 0.85 MAPT (0.76) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL17786466 0.85 CSNK2A2 (0.75) MAPTKDM4ECYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016083490-A1 COMPOUNDS FOR THE TREATMENT OF AMYLOID-ASSOCIATED DISEASES REMYND NV (BE) 2016-06-02 WO disclosed