SCHEMBL4611499

SCHEMBL4611499

O=C1CSc2ccc(CNCC3CN(CC4Cn5c(=O)ccc6ccc(F)c4c65)CC3O)nc2N1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
SLC2A1 P11166 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
SCHEMBL3220119 1.00 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3154933 0.88 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL3150765 0.88 KCNH2 (0.50) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3144963 0.87 KCNH2 (0.49) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3149306 0.87 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3215220 0.85 KCNH2 (0.61) KCNH2
SCHEMBL3399332 0.85 KCNH2 (0.61) KCNH2
SCHEMBL3893531 0.84 KCNH2 (0.60) KCNH2
SCHEMBL3893529 0.84 KCNH2 (0.60) KCNH2
Hydrochloric Acid SCHEMBL3548543 0.84 KCNH2 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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