SCHEMBL7009944

SCHEMBL7009944

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7811252 0.85 FBP1 (0.38) PKMHTTALDH1A1MAPTPOLB
SCHEMBL3189052 0.81 SMN1; SMN2 (0.39) ALDH1A1MAPTPOLBNPC1LMNA
SCHEMBL4671917 0.81 MAPT (0.37) PKMALDH1A1MAPTPOLBKDM4E
SCHEMBL7004775 0.79 POLB (0.36) ALDH1A1MAPTPOLBKDM4ETDP1
SCHEMBL7008349 0.77 ALDH1A1 (0.39) PKMHTTALDH1A1MAPTPOLB
SCHEMBL17045451 0.73 PKM (0.42) PKMHTTALDH1A1MAPTPOLB
SCHEMBL17051176 0.72 PKM (0.40) PKMHTTALDH1A1MAPTPOLB
SCHEMBL7005289 0.69 KMT2A (0.38) PKMALDH1A1MAPTPOLBKDM4E
SCHEMBL7008342 0.69 ALDH1A1 (0.46) PKMHTTALDH1A1MAPTPOLB
SCHEMBL27162951 0.68 MAPT (0.36) PKMHTTALDH1A1MAPTPOLB

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-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed