SCHEMBL5136077

SCHEMBL5136077

O=c1ccc2ncc(F)c3c2n1CC3(O)CN1CCC(NCc2cc3c(nn2)OCCS3)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.57
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2767119 1.00 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL2767541 0.92 KCNH2 (0.69) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL2769144 0.91 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL3011188 0.90 KCNH2 (0.55) KCNH2
SCHEMBL2767542 0.90 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL2767951 0.90 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL3149032 0.90 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL2768160 0.89 KCNH2 (0.63) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3221122 0.89 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL13244757 0.89 KCNH2 (0.68) 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-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP claimed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO claimed