SCHEMBL7010194

SCHEMBL7010194

Nc1cc(-n2cc(C(=O)O)c(=O)c3c(N)c(F)c(N4CC(N)C4)c(F)c32)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2A P11388 11/20 0.44
TOP2B Q02880 8/20 0.44
TOP1 P11387 3/20 0.44
SLC2A1 P11166 1/20 0.42
STAT3 P40763 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GSK3B P49841 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
SCHEMBL7011332 0.93 TOP2A (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8478277 0.93 TOP2A (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7005373 0.92 CYP3A4 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7014564 0.91 CYP3A4 (0.46) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6576258 0.88 CYP3A4 (0.46) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7008959 0.85 CYP3A4 (0.58) POLBCYP3A4CYP2C9TOP2ATOP2B
SCHEMBL7008719 0.83 STAT3 (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7859695 0.83 CYP3A4 (0.68) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7012569 0.83 CYP3A4 (0.56) POLBCYP3A4CYP2C9TOP2ATOP2B
SCHEMBL19729439 0.82 CYP3A4 (0.47) CACNA1FPOLBMAPK1CACNA1DKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed