SCHEMBL9268553

SCHEMBL9268553

CCOC(=O)c1cn(C2COC2)c2cc(F)c(F)c(OCc3ccccc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GSK3B P49841 1/20 0.37
STAT3 P40763 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
ADRB2 P07550 1/20 0.36
GAPDH P04406 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PPARG P37231 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
SCHEMBL9267526 0.82 STAT3 (0.45) HTTKMT2ASTAT3KDM4EALDH1A1
SCHEMBL9265456 0.81 STAT3 (0.42) HTTKMT2AGSK3BSTAT3KDM4E
SCHEMBL9044625 0.78 HTT (0.41) MAOBHTTKMT2AMEN1HSP90AA1
SCHEMBL583970 0.78 ADRB2 (0.54) GSK3BSTAT3KDM4EALDH1A1ADRB2
SCHEMBL10772266 0.78 STAT3 (0.46) MAOBHTTKMT2AMEN1GSK3B
SCHEMBL1345409 0.77 ADRB2 (0.43) HTTGSK3BKDM4EALDH1A1HPGD
SCHEMBL9502058 0.77 ADRB2 (0.48) HTTGSK3BKDM4EALDH1A1HPGD
SCHEMBL9261876 0.76 STAT3 (0.47) HTTKMT2AMEN1GSK3BSTAT3
SCHEMBL9270695 0.76 KMT2A (0.57) HTTKMT2AMEN1STAT3KDM4E
SCHEMBL9501129 0.75 ADRB2 (0.51) HTTKMT2AMEN1GSK3BSTAT3

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-5407932-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-04-18 US disclosed
EP-0393400-B1 Novel quinolone derivatives, preparation processes thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KK (JP) 1994-12-21 EP disclosed
US-5245037-A Synthetic bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
EP-0393400-A1 Novel quinolone derivatives, preparation processes thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-24 EP disclosed