SCHEMBL10082467

SCHEMBL10082467

C=C(OC)c1cc(O)c2ccc(OC)c(Cl)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP17A1 P05093 1/20 0.34
KCNMA1 Q12791 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIM1 P11309 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
IGFBP3 P17936 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDR P35968 3/20 0.32
RET P07949 2/20 0.32

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
SCHEMBL10082469 0.88 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CCYP19A1
SCHEMBL14393065 0.84 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL561469 0.84 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKCNMA1
SCHEMBL693150 0.82 GPR35 (0.50) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1166903 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CKCNMA1
SCHEMBL13079806 0.80 CYP19A1 (0.39) PDE4DCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL1166603 0.79 KDM4A (0.43) PDE4DPDE4APDE4BPDE4CKCNMA1
SCHEMBL8126843 0.77 EP300 (0.41) PDE4DCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL8136635 0.75 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CCYP19A1
SCHEMBL2744039 0.75 PDE10A (0.38) PDE4DPDE4APDE4BPDE4CCYP19A1

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
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed