SCHEMBL9728401

SCHEMBL9728401

CC(C)(C)OC(=O)N1CCC(Oc2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
GSK3B P49841 17/20 0.51
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9728493 0.90 CACNA1F (0.41) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728559 0.84 TOP2A (0.49) POLBKCNH2TOP2ATOP2BMEN1
Hydrochloric Acid SCHEMBL9728538 0.80 CACNA1F (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728605 0.79 KDM4E (0.54) POLBKCNH2GSK3BMEN1KMT2A
Hydrochloric Acid SCHEMBL10590401 0.78 POLB (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9727939 0.76 GSK3B (0.49) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9727944 0.76 GSK3B (0.49) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9728203 0.76 CACNA1F (0.55) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728300 0.75 KCNH2 (0.55) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9728418 0.74 ADRB2 (0.53) POLBKCNH2TOP2ATOP2BKMT2A

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