SCHEMBL8710571

SCHEMBL8710571

C=C1c2cccnc2C(=O)N1c1ccc(OC)c(OC2Cc3ccccc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.42
PDE4D Q08499 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2C P28335 1/20 0.37
SHMT2 P34897 1/20 0.37

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
SCHEMBL8708786 0.88 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CL3MBTL1
SCHEMBL8707476 0.87 PDE4B (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL8714452 0.86 L3MBTL1 (0.50) L3MBTL1ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL8707002 0.85 L3MBTL1 (0.41) PDE4BPDE4DPDE4APDE4CL3MBTL1
SCHEMBL8707692 0.81 NR1H3 (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL8707973 0.77 L3MBTL1 (0.41) PDE4BPDE4DPDE4APDE4CL3MBTL1
SCHEMBL8711862 0.75 NR1H2 (0.41) PDE4BPDE4DPDE4APDE4CL3MBTL1
SCHEMBL8707864 0.75 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL8712873 0.74 PDE4B (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL8711275 0.72 RAB9A (0.57) PDE4BPDE4DPDE4APDE4CALDH1A1

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-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed