SCHEMBL8129186

SCHEMBL8129186

CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)c(O)c2c1=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.58
ADRB2 P07550 1/20 0.52
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 7/20 0.42
CACNA1F O60840 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL1345146 0.92 STAT3 (0.65) STAT3ADRB2HTTTSHRCASP1
SCHEMBL8111555 0.90 STAT3 (0.56) STAT3ADRB2HTTTSHRCASP1
SCHEMBL10594730 0.89 STAT3 (0.55) STAT3ADRB2HTTTSHRCASP1
SCHEMBL1344898 0.88 STAT3 (0.54) STAT3ADRB2HTTTSHRCASP1
SCHEMBL8851823 0.88 STAT3 (0.54) STAT3ADRB2HTTTSHRCASP1
SCHEMBL8111795 0.88 STAT3 (0.54) STAT3ADRB2HTTTSHRCASP1
SCHEMBL8852067 0.86 STAT3 (0.52) STAT3ADRB2HTTTSHRCASP1
SCHEMBL8852112 0.85 STAT3 (0.51) STAT3ADRB2HTTTSHRCASP1
SCHEMBL9148194 0.84 ADRB2 (0.55) STAT3ADRB2HTTTSHRCASP1
SCHEMBL7577816 0.84 ADRB2 (0.51) STAT3ADRB2HTTTSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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