SCHEMBL9233183

SCHEMBL9233183

CCN1CCN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn4c3c2OCN4C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
GSK3B P49841 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
POLB P06746 2/20 0.32
CACNA1F O60840 1/20 0.32
MAPK1 P28482 1/20 0.32
CACNA1D Q01668 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SLC2A1 P11166 1/20 0.32
ALB P02768 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AADAT Q8N5Z0 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31

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
SCHEMBL9233837 0.91 KDM4E (0.54) KDM4EGSK3BALDH1A1HPGDHSD17B10
SCHEMBL9235745 0.91 KDM4E (0.46) KDM4EGSK3BALDH1A1HPGDHSD17B10
SCHEMBL9232505 0.89 KDM4E (0.44) KDM4EGSK3BALDH1A1HPGDHSD17B10
SCHEMBL9230245 0.88 KDM4E (0.44) KDM4EGSK3BALDH1A1HPGDHSD17B10
SCHEMBL9228918 0.84 KDM4E (0.40) KDM4EGSK3BALDH1A1POLBCACNA1F
SCHEMBL9232358 0.83 KDM4E (0.40) KDM4EGSK3BALDH1A1HPGDHSD17B10
SCHEMBL8134319 0.83 KDM4E (0.40) KDM4EGSK3BPOLBCACNA1FMAPK1
SCHEMBL9234627 0.83 CACNA1F (0.51) KDM4EGSK3BPOLBCACNA1FMAPK1
SCHEMBL9234604 0.82 KCNH2 (0.41) KDM4EGSK3BALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL9233717 0.80 TOP2A (0.38) KDM4EALDH1A1POLBCACNA1FMAPK1

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-0683169-A1 8-Amino-pyrido 1,2,3-de 1,3,4 benzoxadiazine derivatives, and antibacterial agents containing them BAYER AG (DE) 1995-11-22 EP disclosed