SCHEMBL9046232

SCHEMBL9046232

CCOC(=O)c1cn(-c2ccon2)c2c(F)c(F)c(F)c(OCc3ccccc3)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.49
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.37
CASP1 P29466 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NMT1 P30419 2/20 0.35
NMT2 O60551 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL9044625 0.87 HTT (0.41) STAT3HTTMAOBMEN1HSP90AA1
SCHEMBL9047236 0.83 STAT3 (0.60) STAT3HTTKMT2ATSHRCASP1
SCHEMBL10772266 0.78 STAT3 (0.46) STAT3HTTMAOBMEN1KMT2A
SCHEMBL8537622 0.77 STAT3 (0.45) STAT3HTTMAOBMEN1HSP90AA1
SCHEMBL4674006 0.77 STAT3 (0.45) STAT3HTTMAOBMEN1HSP90AA1
SCHEMBL9047198 0.76 STAT3 (0.59) STAT3HTTHSP90AA1KMT2AHPGD
SCHEMBL7012730 0.76 HTT (0.47) STAT3HTTMAOBMEN1HSP90AA1
SCHEMBL9047636 0.71 HTT (0.46) STAT3HTTKMT2ATSHRCASP1
SCHEMBL9045934 0.71 HTT (0.46) STAT3HTTKMT2ATSHRCASP1
SCHEMBL9046444 0.71 STAT3 (0.51) STAT3HTTKMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700912-A1 QUINOLONE DERIVATIVE OR SALT THEREOF, AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed