SCHEMBL17786396

SCHEMBL17786396

Nc1ccc2oc(-c3cccc(OCc4ccccc4)c3)c(O)c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KDM4E B2RXH2 6/20 0.54
MEN1 O00255 5/20 0.54
CYP3A4 P08684 5/20 0.54
KMT2A Q03164 5/20 0.54
TP53 P04637 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2D6 P10635 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DHFR P00374 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL925779 0.85 MAPT (0.59) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL17786490 0.82 MAPT (0.77) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL5130608 0.82 MAPT (0.70) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL17786512 0.79 KDM4E (0.67) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL27491848 0.79 KDM4E (0.66) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL17786589 0.79 MAPT (0.56) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL17786400 0.77 CYP3A4 (0.47) MAPTKDM4EMEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL926792 0.77 HSD17B10 (0.48) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL27325970 0.77 KDM4E (0.62) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL17786640 0.76 CYP1A2 (0.60) MAPTKDM4EMEN1CYP3A4KMT2A

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