SCHEMBL4428334

SCHEMBL4428334

O=c1c(O)cc2ccc(F)c3c2n1CC3CN1CCC(NCc2cc3c(nn2)OCCS3)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.56
SLC2A1 P11166 2/20 0.41

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
SCHEMBL3141804 0.91 KCNH2 (0.62) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3221024 0.90 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL3225945 0.86 KCNH2 (0.55) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3228092 0.85 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL2937576 0.84 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL3144363 0.79 KCNH2 (0.62) KCNH2SLC2A1
SCHEMBL3227007 0.78 KCNH2 (0.45) KCNH2SLC2A1
Gsk-945237 SCHEMBL3141752 0.78 KCNH2 (0.79) KCNH2SLC2A1
Gsk-945237 SCHEMBL30480761 0.78 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL3139217 0.78 KCNH2 (0.56) KCNH2SLC2A1

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 claimed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO claimed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 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