SCHEMBL8938070

SCHEMBL8938070

O=C1NC(=O)c2c(CCCCCCCCCCCCCCBr)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 4/20 0.37
CASP3 P42574 5/20 0.34
CASP7 P55210 2/20 0.34
CASP2 P42575 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
GSK3A P49840 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL133934 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9152783 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4206081 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4909203 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4026807 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL31036258 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9151570 1.00 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL1234203 0.98 GSK3B (0.39) GSK3BKDM4EALDH1A1GAAHPGD
Phthalimide SCHEMBL8559536 0.97 GSK3B (0.44) GSK3BKDM4EALDH1A1GAAHPGD
Phthalimide SCHEMBL8558696 0.96 GSK3B (0.43) GSK3BKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 WO disclosed