SCHEMBL1768443

SCHEMBL1768443

FC(F)(F)Oc1cccc(Br)c1-c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
SCN9A Q15858 4/20 0.40
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 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
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
S1PR1 P21453 1/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL29471353 0.78 HTR7 (0.38) SCN9AALDH1A1L3MBTL1HSD11B1POLB
SCHEMBL615592 0.78 HTR7 (0.38) SCN9AALDH1A1L3MBTL1HSD11B1POLB
SCHEMBL1768355 0.76 TOP1 (0.47) PDK2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL7701143 0.74 ALDH1A1 (0.50) SCN9AALDH1A1L3MBTL1HSD11B1MPL
SCHEMBL1768545 0.73 ALDH1A1 (0.55) PDK2ALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL29803148 0.73 ALDH1A1 (0.55) PDK2ALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL16184453 0.73 MPL (0.44) SCN9AALDH1A1L3MBTL1HSD11B1MPL
SCHEMBL25310703 0.72 KDM4E (0.34) SCN9AALDH1A1L3MBTL1MPLKDM4E
SCHEMBL10874519 0.72 MRGPRX4 (0.38) SCN9AALDH1A1L3MBTL1MPLKDM4E
SCHEMBL4657366 0.72 MPL (0.40) SCN9AMPLKDM4EPOLBNPSR1

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