SCHEMBL1768429

SCHEMBL1768429

FC(F)(F)Oc1cccc(I)c1-c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.37
MPL P40238 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL30740989 0.78 SCN9A (0.38) SCN9AL3MBTL1ALDH1A1HSD11B1KDM4E
SCHEMBL934639 0.78 SCN9A (0.38) SCN9AL3MBTL1ALDH1A1HSD11B1KDM4E
SCHEMBL1768310 0.76 TOP1 (0.47) ALDH1A1KDM4EMAPTPOLBNPSR1
SCHEMBL7701143 0.74 ALDH1A1 (0.50) SCN9AL3MBTL1ALDH1A1HSD11B1MPL
SCHEMBL12480202 0.73 MPL (0.44) SCN9AMPLKDM4ETRPA1CYP2D6
SCHEMBL24068167 0.72 SCN9A (0.43) SCN9AL3MBTL1ALDH1A1HSD11B1KDM4E
SCHEMBL14661385 0.72 NOTUM (0.38) SCN9AL3MBTL1MPLKDM4EMAPT
SCHEMBL1768443 0.71 PDK2 (0.42) SCN9AL3MBTL1ALDH1A1HSD11B1MPL
SCHEMBL4654446 0.71 RXRA (0.47) SCN9AL3MBTL1ALDH1A1HSD11B1MPL
SCHEMBL28777064 0.69 SLC22A12 (0.38) SCN9AL3MBTL1ALDH1A1POLBNPSR1

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-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed