SCHEMBL28464554

SCHEMBL28464554

c1ccc(-c2ccc(-n3cc(-c4ccccn4)nn3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.73
MIF P14174 4/20 0.73
GSK3B P49841 2/20 0.57
GRM5 P41594 2/20 0.56
OGT O15294 2/20 0.51
PTGS2 P35354 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PTGS1 P23219 1/20 0.50
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
STIM1 Q13586 2/20 0.45
ORAI1 Q96D31 2/20 0.45

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
SCHEMBL27166024 0.91 FLT3 (0.64) FLT3MIFGSK3BGRM5OGT
SCHEMBL6953018 0.90 FLT3 (0.77) FLT3MIFGSK3BGRM5PTGS2
SCHEMBL26628293 0.90 MIF (0.91) FLT3MIFGSK3BGRM5OGT
SCHEMBL26628323 0.90 FLT3 (0.68) FLT3MIFGSK3BGRM5OGT
SCHEMBL17980671 0.84 MIF (1.00) FLT3MIFGSK3BGRM5HSD17B1
SCHEMBL1674373 0.84 FLT3 (0.73) FLT3MIFGSK3BGRM5PTGS2
SCHEMBL29158520 0.84 FLT3 (1.00) FLT3MIFGSK3BGRM5PTGS2
SCHEMBL26628312 0.83 PTGS2 (0.67) FLT3MIFGSK3BOGTPTGS2
SCHEMBL28468629 0.81 FLT3 (0.56) FLT3MIFGSK3BGRM5STIM1
SCHEMBL12595574 0.81 FLT3 (0.56) FLT3MIFGSK3BGRM5PTGS2

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