SCHEMBL30829255

SCHEMBL30829255

N#Cc1ccc2nc(O)c(OC(C(F)(F)F)C(F)(F)F)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.38
HSD17B14 Q9BPX1 1/20 0.32
PDK2 Q15119 1/20 0.32
PIN1 Q13526 1/20 0.32
CFB P00751 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GPR6 P46095 5/20 0.30
PKMYT1 Q99640 1/20 0.30
RORC P51449 1/20 0.30
CSNK1D P48730 2/20 0.30
CSNK1G2 P78368 2/20 0.30
MGLL Q99685 1/20 0.30
CSNK1A1 P48729 1/20 0.30
GSK3B P49841 1/20 0.30
PDE10A Q9Y233 1/20 0.30
PPARA Q07869 1/20 0.30

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 0.81 KDM4E (0.46) KDM4E
SCHEMBL30829263 0.80 PABPC1 (0.34) KDM4E
SCHEMBL30829264 0.80 MAPT (0.37) PDK2KDM4E
SCHEMBL30829253 0.80 KDM4E (0.53) DGAT1KCNH2KDM4E
SCHEMBL29187245 0.80 CFB (0.32) CETPHSD17B14PDK2PIN1CFB
SCHEMBL30829256 0.78 CFTR (0.36) KDM4E
SCHEMBL30829261 0.77 MEN1 (0.46) KDM4EPPARA
SCHEMBL2437956 0.76 PIN1 (0.44) HSD17B14PIN1KDM4EPKMYT1CSNK1D
SCHEMBL30829260 0.76 AR (0.33)
SCHEMBL15423632 0.69 HSD17B14 (0.33) HSD17B14PDK2PIN1DGAT1SOAT1

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