SCHEMBL30829253

SCHEMBL30829253

Oc1nc2cc(C(F)(F)F)ccc2nc1OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
BACE1 P56817 1/20 0.36
PTGS2 P35354 1/20 0.35
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHX2 P34913 1/20 0.34
SCN4A P35499 1/20 0.34
PKM P14618 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
DYRK1A Q13627 2/20 0.32
NPBWR1 P48145 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL30829254 0.84 KDM4E (0.46) KDM4E
SCHEMBL30829264 0.83 MAPT (0.37) KDM4EDYRK1A
SCHEMBL30829263 0.83 PABPC1 (0.34) KDM4E
SCHEMBL30829256 0.82 CFTR (0.36) KDM4E
SCHEMBL30829261 0.81 MEN1 (0.46) KDM4E
SCHEMBL30829255 0.80 CETP (0.38) KDM4EDGAT1KCNH2
SCHEMBL6107899 0.79 KDM4E (0.72) KDM4EBACE1DGAT1KCNH2EPHX2
SCHEMBL30829260 0.79 AR (0.33)
SCHEMBL29187262 0.78 KDM4E (0.50) KDM4EBACE1DGAT1KCNH2EPHX2
SCHEMBL804996 0.70 KDM4E (0.46) KDM4EBACE1EPHX2SCN4ASCN10A

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
CN-117702139-A Method for synthesizing electrocatalytic fluoroalkoxy aryl ether compound 西华师范大学 2024-03-15 CN disclosed