SCHEMBL7811252

SCHEMBL7811252

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
XBP1 P17861 2/20 0.34
CCR6 P51684 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.33
MAPT P10636 6/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 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
SCHEMBL4671917 0.86 MAPT (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL3189052 0.86 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL7009944 0.85 PKM (0.38) ALDH1A1SMN1; SMN2GAAPOLBLMNA
SCHEMBL7004775 0.84 POLB (0.36) FBP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8735860 0.74 MEN1 (0.38) FBP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7008349 0.72 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL7005289 0.72 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9501037 0.71 TSHR (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7007314 0.69 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL27263280 0.68 MAPT (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA

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-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed