SCHEMBL754582

SCHEMBL754582

CC(C)(O)C1=C(c2cc(CCc3ccc(F)cc3)ccn2)CNC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.40
CSNK1A1 P48729 2/20 0.37
CSNK1D P48730 2/20 0.37
CSNK1G2 P78368 2/20 0.37
GSK3B P49841 1/20 0.35
DAO P14920 2/20 0.34
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
MAPKAPK2 P49137 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM6B O15054 1/20 0.32
SCN9A Q15858 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
BRS3 P32247 1/20 0.31
F2 P00734 1/20 0.31
AOC3 Q16853 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4A O75164 1/20 0.31

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
SCHEMBL6810513 0.81 NR3C2 (0.43) NR3C2CSNK1A1CSNK1DCSNK1G2GSK3B
SCHEMBL751850 0.79 BRS3 (0.36) CSNK1A1CSNK1DCSNK1G2BRS3MAPK14
SCHEMBL756226 0.70 NR3C2 (0.42) NR3C2CSNK1DDAOKDM5AKDM5B
SCHEMBL754583 0.68 NR3C2 (0.40) NR3C2DAOKDM5AKDM5BPTGS1
SCHEMBL754151 0.63 NR3C2 (0.51) NR3C2PTGS1PTGS2AOC3
SCHEMBL6127541 0.58 NR3C2 (1.00) NR3C2
SCHEMBL30309267 0.57 LOXL2 (0.48)
SCHEMBL16749598 0.57 LOXL2 (0.48)
SCHEMBL17981865 0.57 MAOB (0.53) NR3C2SCN9A
SCHEMBL20449105 0.57 RAB9A (0.41) KDM5AKDM5BMAPKAPK2BRS3KDM4A

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-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed