SCHEMBL9728493

SCHEMBL9728493

CCOC(=O)c1cn(C2CC2)c2c(F)c(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)c(N)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
GSK3B P49841 12/20 0.40
ADRB2 P07550 1/20 0.40
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9728401 0.90 CACNA1F (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728418 0.85 ADRB2 (0.53) POLBKCNH2TOP2ATOP2BADRB2
SCHEMBL9728445 0.83 MEN1 (0.38) POLBBTKMEN1ALDH1A1LMNA
SCHEMBL1344898 0.78 STAT3 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728544 0.77 ADRB2 (0.44) TOP2ATOP2BADRB2BTKALDH1A1
SCHEMBL5704363 0.75 GSK3B (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6880793 0.75 GSK3B (0.50) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728559 0.74 TOP2A (0.49) POLBKCNH2TOP2ATOP2BMEN1
SCHEMBL9688633 0.73 CACNA1F (0.49) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728447 0.73 KDM4E (0.43) POLBTOP2ATOP2BADRB2BTK

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