SCHEMBL7464085

SCHEMBL7464085

CCCNC(=O)Oc1nc(C)ccc1C(=O)Nc1c(OC)ccc(Cl)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.42
PDE4A P27815 9/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 9/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL6949924 0.86 CCNE1 (0.35) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7682613 0.86 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6949794 0.83 HDAC1 (0.36) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7458253 0.80 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7456776 0.78 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7460856 0.78 PDE4A (0.36) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL7680123 0.75 THRB (0.38) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7460958 0.73 GAA (0.40) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6742425 0.71 THRB (0.38) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7459262 0.69 EPHX1 (0.54) MEN1KMT2AMAPTALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540193-A 2002-11-26 JP claimed
EP-1165515-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP claimed
WO-2000058288-A1 PYRIDINE-2,3-DICARBOXYLIC ACID DIAMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO claimed