SCHEMBL4828408

SCHEMBL4828408

O=c1ccc2ncc(F)c3c2n1CC3(O)CN1CCC(NCc2cc3c(nn2)OCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.58
TOP2A P11388 1/20 0.46

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
SCHEMBL2767086 1.00 KCNH2 (0.58) KCNH2TOP2A
SCHEMBL13244655 0.96 KCNH2 (0.59) KCNH2TOP2A
SCHEMBL2767080 0.92 KCNH2 (0.70) KCNH2TOP2A
Hydrochloric Acid SCHEMBL2768395 0.91 KCNH2 (0.69) KCNH2TOP2A
SCHEMBL2767770 0.90 KCNH2 (0.70) KCNH2TOP2A
SCHEMBL2767874 0.90 KCNH2 (0.70) KCNH2TOP2A
SCHEMBL14001973 0.90 KCNH2 (0.70) KCNH2TOP2A
SCHEMBL3148919 0.89 KCNH2 (0.45) KCNH2TOP2A
SCHEMBL13244757 0.89 KCNH2 (0.68) KCNH2
SCHEMBL5136077 0.87 KCNH2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP claimed