SCHEMBL9720451

SCHEMBL9720451

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.54
ADRB2 P07550 1/20 0.52
TOP2A P11388 3/20 0.48
TOP2B Q02880 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CACNA1F O60840 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1D Q01668 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
GSK3B P49841 5/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL8851823 0.91 STAT3 (0.54) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL1345146 0.91 STAT3 (0.65) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL7578035 0.87 ADRB2 (0.51) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL9585893 0.87 STAT3 (0.54) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL10339785 0.86 STAT3 (0.53) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL7579697 0.86 ADRB2 (0.49) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL7577114 0.86 ADRB2 (0.47) STAT3ADRB2TOP2ATOP2BCACNA1F
SCHEMBL7580005 0.85 ADRB2 (0.52) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL8111555 0.84 STAT3 (0.56) STAT3ADRB2TOP2ATOP2BMEN1
SCHEMBL7599453 0.83 ADRB2 (0.65) STAT3ADRB2TOP2ATOP2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed
EP-0309789-A1 4-Oxo-3-quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-04-05 EP disclosed