SCHEMBL9045574

SCHEMBL9045574

C[C@H]1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3-c2ccon2)C[C@H]1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
POLB P06746 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
FOXO1 Q12778 1/20 0.36
GSK3B P49841 6/20 0.35
TOP2A P11388 6/20 0.34
TOP2B Q02880 4/20 0.34
KMT2A Q03164 2/20 0.33
EPHA2 P29317 1/20 0.33
FLT4 P35916 1/20 0.33
RARB P10826 1/20 0.33
TBXAS1 P24557 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL9048876 0.85 SLC2A1 (0.36) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9048305 0.85 LMNA (0.47) POLBGSK3BTOP2ATOP2BKMT2A
SCHEMBL9045251 0.85 LMNA (0.47) POLBGSK3BTOP2ATOP2BKMT2A
SCHEMBL9045879 0.80 ALDH1A1 (0.40) POLBFOXO1GSK3BTOP2ATOP2B
SCHEMBL9048884 0.77 GSK3B (0.35) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9050270 0.74 KDM4E (0.48) TOP2BKMT2AMEN1KDM4EALDH1A1
SCHEMBL9047564 0.72 ALDH1A1 (0.40) KCNH2POLBHRH3GSK3BTOP2A
SCHEMBL9044750 0.71 ALDH1A1 (0.41) POLBGSK3BTOP2ATOP2BKMT2A
Hydrochloric Acid SCHEMBL9053691 0.70 LMNA (0.41) POLBGSK3BTOP2ATOP2BKMT2A
Hydrochloric Acid SCHEMBL9053697 0.70 LMNA (0.41) POLBGSK3BTOP2ATOP2BKMT2A

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-0700912-A1 QUINOLONE DERIVATIVE OR SALT THEREOF, AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed