SCHEMBL9728366

SCHEMBL9728366

Nc1cc(F)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.58
TOP2A P11388 5/20 0.58
TOP2B Q02880 5/20 0.58
CACNA1F O60840 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
CACNA1D Q01668 1/20 0.56
KCNH2 Q12809 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1C Q13936 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL9149448 0.88 TOP2A (0.58) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9151682 0.85 TOP2A (0.55) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9152025 0.85 TOP2A (0.55) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9145544 0.85 TOP2A (0.61) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL1349005 0.83 TOP2A (0.58) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9146810 0.83 ADRB2 (0.52) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL8785054 0.83 TOP2A (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL1345769 0.82 GSK3B (0.70) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL1344780 0.81 MEN1 (0.68) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4716155 0.81 GSK3B (0.59) GSK3BTOP2ATOP2BCACNA1FPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153203-A QUINOLONE DERIVATIVES AND SALTS THEREOF, PREPARATION PROCESSES THEREOF, AND ANTIBACTERIAL AGENTS CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-10-06 US disclosed
EP-0390215-A2 Quinolone derivatives and salts thereof, preparation process es thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-03 EP disclosed