SCHEMBL9689334

SCHEMBL9689334

O=C(O)C(=CNC1CC1)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
HPGD P15428 1/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
GAA P10253 1/20 0.33
ROCK2 O75116 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9689331 1.00 CRBN (0.37) CRBNHPGDCES2CES1GAA
SCHEMBL9589970 0.86 HPGD (0.40) HPGDGAAROCK2SMN1; SMN2NPC1
SCHEMBL9589976 0.86 HPGD (0.40) HPGDGAAROCK2SMN1; SMN2NPC1
SCHEMBL10843040 0.86 HPGD (0.40) HPGDGAAROCK2SMN1; SMN2NPC1
SCHEMBL10751780 0.83 CRBN (0.35) CRBNCES2CES1
SCHEMBL10751784 0.83 CRBN (0.35) CRBNCES2CES1
SCHEMBL10572636 0.82 PTGS1 (0.36) CRBN
SCHEMBL10400402 0.82 NPSR1 (0.36) GAAPOLBSMN1; SMN2TDP1
SCHEMBL9562430 0.82 NPSR1 (0.36) GAAPOLBSMN1; SMN2TDP1
SCHEMBL10572643 0.82 PTGS1 (0.36) CRBN

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
CN-106674254-B Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2019-03-15 CN disclosed
CN-106674254-A Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2017-05-17 CN disclosed
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
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP disclosed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 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-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US disclosed