SCHEMBL17786334

SCHEMBL17786334

COc1cc(OC)cc(-c2cc(=O)c3cc(N)ccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.67
SRC P12931 1/20 0.67
MAPT P10636 6/20 0.62
KDM4E B2RXH2 5/20 0.62
TP53 P04637 4/20 0.62
CYP3A4 P08684 4/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 4/20 0.62
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
LMNA P02545 2/20 0.62
THRB P10828 2/20 0.62
HSD17B10 Q99714 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ABCB1 P08183 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL925773 0.89 MAPT (0.79) EGFRSRCMAPTKDM4ETP53
SCHEMBL7079959 0.88 KDM4E (0.73) EGFRSRCMAPTKDM4ETP53
SCHEMBL17786635 0.85 EGFR (0.62) EGFRSRCMAPTKDM4ETP53
SCHEMBL17786403 0.84 CSNK2A2 (0.73) EGFRSRCMAPTKDM4ETP53
SCHEMBL4983269 0.83 MAPT (0.84) EGFRSRCMAPTKDM4ETP53
3',5'-Dimethoxyflavone SCHEMBL29149133 0.81 TNKS (0.78) MAPTKDM4ETP53CYP3A4NPC1
SCHEMBL17786381 0.81 FYN (0.73) EGFRSRCMAPTKDM4ETP53
6-Aminoflavone SCHEMBL31550004 0.78 EGFR (0.82) EGFRSRCMAPTKDM4ETP53
6-Aminoflavone SCHEMBL926716 0.78 EGFR (0.82) EGFRSRCMAPTKDM4ETP53
SCHEMBL31364277 0.78 MAOB (0.81) MAPTKDM4ETP53CYP3A4NPC1

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