SCHEMBL3844705

SCHEMBL3844705

O=c1[nH]c2cc(F)ccc2nc1CCN1CCC(NCc2cc3c(nn2)OCCC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.39
TOP2A P11388 1/20 0.38
SLC2A1 P11166 2/20 0.32
MPO P05164 1/20 0.32
CCR3 P51677 1/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 2/20 0.32

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
Hydrochloric Acid SCHEMBL3839451 0.88 KCNH2 (0.49) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3843858 0.88 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3859505 0.77 KCNH2 (0.54) KCNH2TOP2A
SCHEMBL3847249 0.72 HRH4 (0.42) KCNH2MPOPARP1PARP2
SCHEMBL3140710 0.68 KCNH2 (0.63) KCNH2TOP2ASLC2A1
SCHEMBL2931798 0.68 KCNH2 (0.80) KCNH2TOP2ASLC2A1
SCHEMBL2767080 0.67 KCNH2 (0.70) KCNH2TOP2A
SCHEMBL5047682 0.67 CCR3 (0.41) CCR3
Hydrochloric Acid SCHEMBL2768395 0.67 KCNH2 (0.69) KCNH2TOP2A
SCHEMBL5047895 0.67 TSHR (0.43) 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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed