SCHEMBL7005578

SCHEMBL7005578

O=C(O)c1cn(-c2cc([N+](=O)[O-])c(F)c(F)c2F)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.49
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIM1 P11309 2/20 0.39
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DRD3 P35462 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL7012447 0.87 TOP1 (0.48) TOP1LMNAKMT2AHTTPOLB
SCHEMBL7011336 0.84 ALDH1A1 (0.55) TOP1LMNAKMT2AHTTPOLB
SCHEMBL7011650 0.82 TOP1 (0.50) TOP1LMNAKMT2AHTTPOLB
SCHEMBL7010639 0.81 TOP1 (0.45) TOP1LMNAKMT2AHTTPOLB
SCHEMBL14860744 0.80 TOP1 (0.50) TOP1LMNAKMT2AHTTPOLB
SCHEMBL9045179 0.80 LMNA (0.48) TOP1LMNAKMT2AHTTPOLB
SCHEMBL7007518 0.78 ALDH1A1 (0.49) TOP1LMNAKMT2AHTTPOLB
SCHEMBL7008317 0.77 TOP1 (0.45) TOP1LMNAKMT2AHTTPOLB
SCHEMBL14867519 0.77 TOP1 (0.50) TOP1LMNAKMT2AHTTPOLB
SCHEMBL14860671 0.77 LMNA (0.53) TOP1LMNAKMT2AHTTPOLB

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