SCHEMBL3725110

SCHEMBL3725110

O=c1cnc2ccc(=O)n3c2n1CCC3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.83
KCNH2 Q12809 15/20 0.49
SLC2A1 P11166 1/20 0.39

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
SCHEMBL910715 1.00 TOP2A (0.83) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL909841 0.99 TOP2A (0.82) TOP2AKCNH2SLC2A1
SCHEMBL21371945 0.94 TOP2A (0.94) TOP2AKCNH2SLC2A1
SCHEMBL3329039 0.94 TOP2A (0.94) TOP2AKCNH2SLC2A1
Hydrochloric Acid SCHEMBL3332892 0.93 TOP2A (0.93) TOP2AKCNH2SLC2A1
Gepotidacin SCHEMBL29379990 0.91 TOP2A (1.00) TOP2AKCNH2SLC2A1
Gepotidacin SCHEMBL3332319 0.91 TOP2A (1.00) TOP2AKCNH2SLC2A1
Gepotidacin SCHEMBL17536702 0.91 TOP2A (1.00) TOP2AKCNH2SLC2A1
SCHEMBL909984 0.90 TOP2A (0.68) TOP2AKCNH2SLC2A1
Gepotidacin SCHEMBL17515232 0.90 TOP2A (0.98) TOP2AKCNH2SLC2A1

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-2238138-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2010-10-13 EP claimed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO claimed