SCHEMBL3189052

SCHEMBL3189052

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.36
MAPT P10636 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4671917 0.90 MAPT (0.37) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL7004775 0.88 POLB (0.36) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL7811252 0.86 FBP1 (0.38) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL7009944 0.81 PKM (0.38) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL8111870 0.81 MAPT (0.36) SMN1; SMN2ALDH1A1POLBLMNAHPGD
SCHEMBL7007314 0.77 KMT2A (0.40) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL7005289 0.77 KMT2A (0.38) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL27263280 0.76 MAPT (0.35) SMN1; SMN2ALDH1A1LMNAHPGDNPSR1
SCHEMBL6168982 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1POLBLMNAGALR2
SCHEMBL10510642 0.73 CES2 (0.46) ALDH1A1LMNAHPGDNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0341493-B1 Optically active pyridonecarboxylic acid derivatives DAIICHI SEIYAKU CO (JP) 1999-07-14 EP disclosed
US-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0341493-A2 Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP disclosed