SCHEMBL4590419

SCHEMBL4590419

NC(=O)c1cccc2c(OC(=O)C(F)(F)F)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
CLEC4M Q9H2X3 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM1 P11309 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.36
ELANE P08246 1/20 0.36
BTK Q06187 2/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 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
SCHEMBL28172901 0.84 KDM4E (0.50) CLEC4MALDH1A1PIM3PIM1HSD17B10
SCHEMBL5238691 0.81 KDM4E (0.43) PDPK1CLEC4MALDH1A1ATMMAPK1
SCHEMBL8593494 0.81 PDPK1 (0.42) PDPK1CLEC4MALDH1A1ATMMAPK1
SCHEMBL8591739 0.80 CLEC4M (0.42) PDPK1CLEC4MALDH1A1ATMMAPK1
SCHEMBL27506941 0.77 PIM3 (0.45) PDPK1CLEC4MALDH1A1ATMMAPK1
SCHEMBL27361577 0.75 CTNNB1 (0.51) ALDH1A1HSD17B10KDM4EHPGDELANE
SCHEMBL8594220 0.74 CLEC4M (0.38) PDPK1CLEC4MALDH1A1ATMMAPK1
SCHEMBL3925907 0.74 SLC22A6 (0.64) ALDH1A1ATMMAPK1SLC22A6
SCHEMBL8595771 0.74 ESR1 (0.52) CLEC4MALDH1A1KDM4EHPGDAURKA
SCHEMBL8595088 0.74 ESR1 (0.52) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1

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
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed