SCHEMBL8049571

SCHEMBL8049571

FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2SCc2ccco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.49
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HIF1A Q16665 5/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL8043531 0.85 METAP1 (0.49) OPRK1GRM5HTTMAPTHIF1A
SCHEMBL8032107 0.82 HIF1A (0.45) GRM5HTTHIF1AKDM4ESMN1; SMN2
SCHEMBL8043507 0.82 NPC1 (0.43) GRM5ALDH1A1HTTMAPTHIF1A
SCHEMBL8042356 0.81 HIF1A (0.50) OPRK1GRM5ALDH1A1HTTMAPT
SCHEMBL8041617 0.81 MAPT (0.47) OPRK1GRM5HTTMAPTHIF1A
SCHEMBL8041606 0.81 HIF1A (0.51) GRM5HTTMAPTHIF1AKDM4E
SCHEMBL8045505 0.81 HIF1A (0.45) GRM5HTTHIF1AKDM4ESMN1; SMN2
SCHEMBL8043609 0.80 HIF1A (0.47) GRM5ALDH1A1HTTMAPTHIF1A
SCHEMBL8032085 0.79 HIF1A (0.52) OPRK1ALDH1A1HTTMAPTHIF1A
SCHEMBL8043558 0.79 TRPV1 (0.46) GRM5ALDH1A1HTTHIF1AKDM4E

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