SCHEMBL7683047

SCHEMBL7683047

CCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(C)ccc(Cl)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR4 O95977 1/20 0.36
PTGS2 P35354 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SORT1 Q99523 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK14 Q16539 1/20 0.34
CCNE1 P24864 2/20 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
SCHEMBL7677586 0.94 HTT (0.41) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL7680208 0.92 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7684169 0.92 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7683507 0.91 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7685558 0.90 PTGS2 (0.42) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7679294 0.88 ALDH1A1 (0.34) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7685867 0.88 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7685456 0.87 TSHR (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7676323 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL678914 0.85 P2RX7 (0.38) PDE4APDE4BPDE4CPDE4DKMT2A

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