SCHEMBL8040002

SCHEMBL8040002

CCOC(=O)c1cn(-c2ccc(F)cc2)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.64
HTT P42858 1/20 0.62
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 2/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
PIM1 P11309 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRNA7 P36544 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10471993 0.93 HTT (0.57) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL7005983 0.92 HTT (0.56) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL9871156 0.91 HTT (0.62) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL9870208 0.91 STAT3 (0.64) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL9773968 0.91 HTT (0.54) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL10629402 0.90 HTT (0.61) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL10472475 0.87 STAT3 (0.62) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL31435141 0.87 STAT3 (0.62) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL7817093 0.87 STAT3 (0.49) STAT3HTTKDM4EALDH1A1POLB
SCHEMBL9387825 0.85 KMT2A (0.59) STAT3HTTKDM4EALDH1A1KMT2A

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
US-6114351-A N-oxides as antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0561850-B1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS NAEJA PHARMACEUTICAL INC (CA) 2000-07-12 EP disclosed
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 WO disclosed
EP-0561850-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES INC. (CA) 1993-09-29 EP disclosed
WO-1992010492-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1992-06-25 WO disclosed
US-4977265-A WITH BACTERICIDAL ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1990-12-11 US disclosed
US-4956465-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
US-4946847-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1990-08-07 US disclosed
US-4806541-A ANTIBACTERIAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed
US-4617308-A 7-substituted amino-1-aryl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids and derivatives thereof as antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-10-14 US disclosed