SCHEMBL8712435

SCHEMBL8712435

COc1ccc(N2C(=O)c3ccncc3C2C)cc1OC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.42
PDE4D Q08499 8/20 0.42
PDE4A P27815 7/20 0.42
PDE4C Q08493 7/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
QPCT Q16769 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL8713095 0.88 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CQPCT
SCHEMBL7695166 0.87 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL8711411 0.86 PDE4D (0.44) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL8711347 0.80 PDE4D (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL8713937 0.79 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CQPCT
SCHEMBL8708298 0.79 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL8711275 0.79 RAB9A (0.57) PDE4BPDE4DPDE4APDE4CQPCT
SCHEMBL8710762 0.78 HTR2C (0.48) PDE4BPDE4DPDE4APDE4CCYP11B2
SCHEMBL8712205 0.78 HTR2C (0.42) PDE4BPDE4DPDE4APDE4CCYP11B1
SCHEMBL8713534 0.78 LMNA (0.48) CYP11B1CYP11B2LMNAGFERL3MBTL1

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