SCHEMBL8340212

SCHEMBL8340212

O=C1CSc2cc(Cl)cnc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
EPHX2 P34913 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL1525767 0.80 PDE3B (0.42) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL12232732 0.80 EPHX2 (0.54) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL4337385 0.74 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL2123339 0.73 MAOA (0.41) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL30032262 0.72 PDE3B (0.40) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL709210 0.72 PDE3B (0.41) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL30480871 0.71 MAOB (0.47) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL4337388 0.71 PDE3B (0.59) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL20066164 0.70 CDK5 (0.58) PDE3BPDE3AGSK3AGSK3BCHEK1
SCHEMBL4219649 0.70 MAOB (0.64) PDE3BPDE3AMAOAMAOBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed