SCHEMBL7008071

SCHEMBL7008071

Nc1cc(-n2cc(C(=O)O)c(=O)c3c(O)c(F)c(N4CC(N)C4)cc32)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 2/20 0.39
TOP2A P11388 9/20 0.38
TOP2B Q02880 7/20 0.38
TOP1 P11387 3/20 0.38
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 1/20 0.36
RARB P10826 1/20 0.36
TBXAS1 P24557 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
STAT3 P40763 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8480759 0.93 TOP1 (0.46) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL7012357 0.93 TOP1 (0.46) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL7011812 0.90 KCNH2 (0.47) CYP3A4CYP2C9KMT2ATOP2ATOP2B
SCHEMBL7007324 0.85 STAT3 (0.42) CYP3A4CYP2C9KMT2ATOP2ATOP1
SCHEMBL7013177 0.84 LMNA (0.50) CYP3A4CYP2C9KMT2ATOP2ATOP2B
SCHEMBL7014564 0.84 CYP3A4 (0.46) CYP3A4CYP2C9KMT2ATOP2ATOP2B
SCHEMBL7006724 0.83 KCNH2 (0.51) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL8478990 0.83 KCNH2 (0.51) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL7010194 0.79 CACNA1F (0.51) CYP3A4CYP2C9KMT2ATOP2ATOP2B
SCHEMBL6576258 0.78 CYP3A4 (0.46) CYP3A4CYP2C9KMT2ATOP2ATOP2B

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