SCHEMBL8204062

SCHEMBL8204062

CNC1C=CCC2CN(c3c(F)c(N)c4c(=O)c(OC(=O)O)cn5c4c3OCN5C)CC21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CACNA1F O60840 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SLC2A1 P11166 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL8193819 0.90 KDM4E (0.35) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8201864 0.90 KDM4E (0.35) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8193484 0.90 KDM4E (0.33) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8201236 0.88 KDM4E (0.34) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8201013 0.87 KDM4E (0.34) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8907674 0.85 KDM4E (0.51) KDM4EPOLB
SCHEMBL8201672 0.84 KDM4E (0.35) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9232358 0.81 KDM4E (0.40) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8204059 0.81 CACNA1F (0.36) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9234627 0.81 CACNA1F (0.51) KDM4ECACNA1FPOLBMAPK1CACNA1D

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-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed