SCHEMBL9687755

SCHEMBL9687755

O=C(O)CC(=O)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL8437290 0.87 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL8872949 0.79 TDP1 (0.35) SMN1; SMN2GAA
SCHEMBL330842 0.78 HTT (0.43) HTTSMN1; SMN2TSHRGAA
SCHEMBL3189044 0.78 MAPT (0.40) HTTSMN1; SMN2GAA
SCHEMBL9253198 0.73 ALDH1A1 (0.35) SMN1; SMN2TSHR
SCHEMBL2688712 0.73 TDP1 (0.34) SMN1; SMN2
SCHEMBL20506721 0.72 TDP1 (0.36) SMN1; SMN2
SCHEMBL9135192 0.69 HTT (0.36) HTTSMN1; SMN2TSHRGAA
SCHEMBL8007008 0.69 TAS1R3 (0.42) HTTSMN1; SMN2TSHRGAA
SCHEMBL4671913 0.69 MAPT (0.42) SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed