SCHEMBL7173258

SCHEMBL7173258

CCO/C=C(/C(=O)OCC)C(=O)c1c(F)c(Cl)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
GLO1 Q04760 2/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7173263 1.00 MAPT (0.33) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL9689282 1.00 MAPT (0.33) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL8434073 0.88 MAPT (0.34) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL8434067 0.88 MAPT (0.34) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL7173265 0.87 MAPT (0.34) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL9134082 0.85 MAPT (0.38) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL9134079 0.85 MAPT (0.38) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL8110602 0.83 NPSR1 (0.37) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL8110600 0.83 NPSR1 (0.37) MAPTGLO1LMNAKMT2ANPSR1
SCHEMBL7810974 0.83 MAPT (0.31) MAPTGLO1LMNAKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed