SCHEMBL17786381

SCHEMBL17786381

COc1ccc(-c2cc(=O)c3cc(N)ccc3o2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.73
ABCB1 P08183 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 3/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
HPGD P15428 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPK1 P28482 2/20 0.70
ALDH1A1 P00352 2/20 0.70
THRB P10828 2/20 0.70
HSD17B10 Q99714 2/20 0.70
GLA P06280 1/20 0.70
EGFR P00533 1/20 0.68
SRC P12931 1/20 0.68
CSNK2A2 P19784 10/20 0.64
CSNK2B P67870 10/20 0.64
CSNK2A1 P68400 10/20 0.64
ESR2 Q92731 1/20 0.64

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
SCHEMBL17786403 0.87 CSNK2A2 (0.73) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL15265120 0.84 CSNK2A2 (0.80) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL16894645 0.84 ABCB1 (0.68) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL18613228 0.84 FYN (1.00) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL30521708 0.84 FYN (1.00) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL27908290 0.84 CSNK2A2 (0.80) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL925773 0.84 MAPT (0.79) ABCB1MEN1KMT2AKDM4ECYP3A4
3',4'-Dimethoxyflavone SCHEMBL29623082 0.82 CYP3A4 (1.00) FYNABCB1MEN1KMT2AKDM4E
3',4'-Dimethoxyflavone SCHEMBL1675954 0.82 CYP3A4 (1.00) FYNABCB1MEN1KMT2AKDM4E
SCHEMBL17786334 0.81 EGFR (0.67) ABCB1MEN1KMT2AKDM4ECYP3A4

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