SCHEMBL4440654

SCHEMBL4440654

O=S(=O)(Oc1cc2c(nn1)OCC=C2)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35

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
SCHEMBL2768220 0.71 DRD2 (0.32)
SCHEMBL1478132 0.70 STS (0.70) STS
SCHEMBL2767330 0.69 GRM1 (0.31)
SCHEMBL14780466 0.65
SCHEMBL25261034 0.63 PDE4A (0.32)
SCHEMBL17436150 0.61 DRD2 (0.32)
SCHEMBL18890302 0.61 PDE4A (0.39)
SCHEMBL30863600 0.60 STS (0.39) STS
SCHEMBL5763922 0.60 CXCR2 (0.33)
SCHEMBL30046151 0.59 PDE4A (0.46)

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
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2001887-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2008-12-17 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed