SCHEMBL7679361

SCHEMBL7679361

CCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(C)ccc(Cl)c1COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
POLB P06746 3/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.33
BDKRB2 P30411 1/20 0.33

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
SCHEMBL7677645 0.94 PTGS2 (0.40) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7681363 0.90 PTGS2 (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL7685116 0.88 ALDH1A1 (0.34) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7677539 0.87 HPGD (0.39) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7683343 0.86 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL7677655 0.86 CNR2 (0.40) PDE4BPDE4APDE4CPDE4DPTGS2
SCHEMBL7683047 0.85 PDE4A (0.38) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7682738 0.85 ALDH1A1 (0.37) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL7680208 0.83 PDE4A (0.38) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7676299 0.83 TSHR (0.34) POLBTDP1L3MBTL1PTGS2KMT2A

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
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed