SCHEMBL28083133

SCHEMBL28083133

Nc1c(OC(F)(F)F)cccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.45
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 3/20 0.36
GAA P10253 1/20 0.35
MCHR1 Q99705 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
MAPT P10636 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL2848722 0.89 MPL (0.41) MPLKDM4ESCN9AGAARXRA
SCHEMBL25371124 0.85 MPL (0.40) MPLKDM4ESCN9AGAARXRA
SCHEMBL4657366 0.85 MPL (0.40) MPLKDM4ESCN9AGAARXRA
SCHEMBL10417860 0.85 MPL (0.43) MPLKDM4ESCN9AGAAL3MBTL1
SCHEMBL29778856 0.85 GRIA1 (0.42) MPLKDM4EALDH1A1GRIA1CACNG8
SCHEMBL21603543 0.85 GRIA1 (0.42) MPLKDM4EALDH1A1GRIA1CACNG8
SCHEMBL22979039 0.80 SLC22A12 (0.39) MPLGAA
SCHEMBL29951648 0.80 ALDH1A1 (0.40) MPLKDM4ESCN9AGAAHCAR1
SCHEMBL31120353 0.80 SCN9A (0.44) MPLKDM4ESCN9AL3MBTL1ALDH1A1
SCHEMBL161228 0.79 G6PD (0.50) KDM4ERXRARXRBRXRGKCNK3

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-105745190-A Bromine-containing N-phenyldiacrylimide derivative and method for producing same 玛耐科股份有限公司 2016-07-06 CN disclosed