SCHEMBL8043531

SCHEMBL8043531

FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2SCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
MAPT P10636 1/20 0.48
HIF1A Q16665 11/20 0.47
GRM5 P41594 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
OPRK1 P41145 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL8042356 0.92 HIF1A (0.50) METAP1MAPTHIF1AGRM5SMN1; SMN2
SCHEMBL8041617 0.92 MAPT (0.47) METAP1MAPTHIF1AGRM5SMN1; SMN2
SCHEMBL8041606 0.91 HIF1A (0.51) METAP1MAPTHIF1AGRM5SMN1; SMN2
SCHEMBL8032085 0.89 HIF1A (0.52) METAP1MAPTHIF1ASMN1; SMN2HTT
SCHEMBL8042355 0.88 HIF1A (0.47) METAP1MAPTHIF1AGRM5SMN1; SMN2
SCHEMBL8032107 0.87 HIF1A (0.45) HIF1AGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL8043507 0.86 NPC1 (0.43) MAPTHIF1AGRM5SMN1; SMN2KDM4E
SCHEMBL8043558 0.85 TRPV1 (0.46) HIF1AGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL8045505 0.85 HIF1A (0.45) METAP1HIF1AGRM5SMN1; SMN2KDM4E
SCHEMBL8049571 0.85 OPRK1 (0.49) MAPTHIF1AGRM5SMN1; SMN2KDM4E

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
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed