SCHEMBL19857040

SCHEMBL19857040

Fc1cc(C(F)(F)F)ccc1-c1cccc(OCc2ncccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
EGFR P00533 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
PTGES O14684 1/20 0.40
GRM2 Q14416 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL16824800 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALOX5AP
SCHEMBL16824818 0.81 HSD11B1 (0.40) PDE4APDE4BPDE4CPDE4DALOX5AP
SCHEMBL16821841 0.75 FEN1 (0.42) ALOX5APFEN1GRM2
SCHEMBL16824820 0.75 HDAC1 (0.41) PDE4APDE4BPDE4CPDE4DALOX5AP
SCHEMBL19857042 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL4553905 0.72 AKR1C3 (0.45) ALOX5APFEN1AKR1C3AKR1C2PTGS2
SCHEMBL19857043 0.71 CTSA (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL19857039 0.71 SCN5A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL16821729 0.70 HDAC1 (0.37) ALOX5APFEN1GRM2IDO1
SCHEMBL5121382 0.70 APP (0.57) ALOX5APFEN1AKR1C3AKR1C2GRM2

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-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 EP disclosed