SCHEMBL3399332

SCHEMBL3399332

O=C1COc2ccc(CNCC3CN(CC4Cn5c(=O)ccc6ccc(F)c4c65)CC3O)nc2N1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.61

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
SCHEMBL3215220 1.00 KCNH2 (0.61) KCNH2
SCHEMBL3151040 0.88 KCNH2 (0.62) KCNH2
SCHEMBL3214151 0.87 KCNH2 (0.48) KCNH2
SCHEMBL3214159 0.87 KCNH2 (0.48) KCNH2
Hydrochloric Acid SCHEMBL3145665 0.87 KCNH2 (0.61) KCNH2
SCHEMBL4611499 0.85 KCNH2 (0.49) KCNH2
SCHEMBL3220119 0.85 KCNH2 (0.49) KCNH2
Hydrochloric Acid SCHEMBL3612006 0.83 KCNH2 (0.47) KCNH2
SCHEMBL3153796 0.82 KCNH2 (0.73) KCNH2
SCHEMBL13070860 0.81 KCNH2 (0.72) KCNH2

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-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP claimed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP claimed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed