SCHEMBL28468629

SCHEMBL28468629

FC(F)(F)Oc1cccc(-c2ccc(-n3cc(-c4ccccn4)nn3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.56
MIF P14174 1/20 0.53
GRM5 P41594 3/20 0.50
RXRA P19793 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2B Q13224 3/20 0.49
STIM1 Q13586 2/20 0.49
ORAI1 Q96D31 2/20 0.49
FLT1 P17948 2/20 0.46
KDR P35968 2/20 0.46
PDE10A Q9Y233 1/20 0.45
KCNH2 Q12809 3/20 0.44
SLC6A7 Q99884 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL28472400 0.83 MIF (0.57) MIFRXRAGRIN1GRIN2BSTIM1
SCHEMBL28464554 0.81 FLT3 (0.73) FLT3MIFGRM5STIM1ORAI1
SCHEMBL18031107 0.78 HSD17B1 (0.66) MIFRXRAGRIN1GRIN2BSTIM1
SCHEMBL17100103 0.77 GRM5 (0.67) GRM5KCNH2SLC6A7
SCHEMBL26628293 0.75 MIF (0.91) FLT3MIFGRM5GSK3B
SCHEMBL26628323 0.75 FLT3 (0.68) FLT3MIFGRM5GSK3B
SCHEMBL28226302 0.75 FLT3 (0.72) FLT3MIFGRM5FLT1KDR
SCHEMBL16653135 0.74 FLT1 (0.51) MIFRXRAGRIN1GRIN2BFLT1
SCHEMBL28472996 0.74 FLT3 (0.50) FLT3MIFGRM5STIM1ORAI1
SCHEMBL27166024 0.73 FLT3 (0.64) FLT3MIFGRM5GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808922-A Bacterial ribosome inhibitor screening method and inhibitor thereof 四川大学 2020-10-23 CN claimed
CN-111808922-A Bacterial ribosome inhibitor screening method and inhibitor thereof 四川大学 2020-10-23 CN disclosed