SCHEMBL9048876

SCHEMBL9048876

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
KCNH2 Q12809 2/20 0.34
CACNA1F O60840 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
FOXO1 Q12778 1/20 0.34
GSK3B P49841 9/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TOP2A P11388 1/20 0.31
TOP2B Q02880 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
SCHEMBL9046630 0.88 KCNH2 (0.34) SLC2A1KCNH2CACNA1FPOLBMAPK1
Hydrochloric Acid SCHEMBL9053691 0.86 LMNA (0.41) POLBGSK3BTOP2ATOP2B
Hydrochloric Acid SCHEMBL9053697 0.86 LMNA (0.41) POLBGSK3BTOP2ATOP2B
SCHEMBL9045574 0.85 KCNH2 (0.38) SLC2A1KCNH2CACNA1FPOLBMAPK1
SCHEMBL9045879 0.74 ALDH1A1 (0.40) POLBFOXO1GSK3BTOP2ATOP2B
SCHEMBL9048884 0.74 GSK3B (0.35) SLC2A1KCNH2CACNA1FPOLBMAPK1
SCHEMBL9045251 0.71 LMNA (0.47) POLBGSK3BTOP2ATOP2B
SCHEMBL9048305 0.71 LMNA (0.47) POLBGSK3BTOP2ATOP2B
SCHEMBL9047564 0.67 ALDH1A1 (0.40) KCNH2POLBGSK3BHRH3TOP2A
SCHEMBL9045186 0.67 KDM4E (0.41) TOP2B

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