SCHEMBL28881502

SCHEMBL28881502

FC(F)=Cc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
MAPT P10636 4/20 0.44
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDO2 P48775 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44

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
SCHEMBL28301892 0.81 KIF11 (0.50) KIF11MAPTJAK2TP53HTT
SCHEMBL9959851 0.80 KIF11 (0.46) KIF11MAPTJAK2TP53HTT
SCHEMBL27943756 0.80 KIF11 (0.57) KIF11MAPTJAK2TP53HTT
SCHEMBL27697522 0.79 APP (0.56) KIF11MAPTJAK2TP53HTT
Biphenyl SCHEMBL28692457 0.78 KIF11 (0.47) KIF11MAPTJAK2TP53HTT
SCHEMBL11649303 0.77 KIF11 (0.50) KIF11MAPTJAK2TP53HTT
SCHEMBL2253358 0.77 PIM1 (0.63) KIF11MAPTJAK2TP53HTT
SCHEMBL291325 0.77 KIF11 (0.58) KIF11MAPTJAK2TP53HTT
SCHEMBL29603193 0.77 PIM1 (0.63) KIF11MAPTJAK2TP53HTT
SCHEMBL6005282 0.77 KIF11 (0.53) KIF11MAPTJAK2TP53HTT

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-115175889-A Process for producing fluorine-containing olefin 国立大学法人东京大学 2022-10-11 CN disclosed