SCHEMBL7004775

SCHEMBL7004775

CCOC(=O)C(F)C(=O)c1cc(Cl)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
MAPT P10636 6/20 0.33
VCAM1 P19320 1/20 0.33
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
GUSB P08236 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FBP1 P09467 1/20 0.32

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
SCHEMBL3189052 0.88 SMN1; SMN2 (0.39) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL4671917 0.88 MAPT (0.37) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL7811252 0.84 FBP1 (0.38) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL7011299 0.82 CYP4F2 (0.34) SMN1; SMN2ALDH1A1LMNANPSR1HPGD
SCHEMBL7009944 0.79 PKM (0.38) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL7005289 0.72 KMT2A (0.38) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL9046842 0.71 CES2 (0.37) POLBSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7008349 0.71 ALDH1A1 (0.39) POLBALDH1A1LMNAMAPTNPC1
SCHEMBL7007314 0.70 KMT2A (0.40) POLBSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL9671784 0.69 GUSB (0.35) POLBSMN1; SMN2ALDH1A1LMNANPSR1

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 11 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
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
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-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
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