SCHEMBL7684085

SCHEMBL7684085

COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4A P27815 4/20 0.40
PDE4C Q08493 4/20 0.40
SORT1 Q99523 1/20 0.36
S1PR4 O95977 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGS2 P35354 1/20 0.34
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 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
SCHEMBL7682639 0.91 ALDH1A1 (0.38) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7685456 0.88 TSHR (0.39) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7685879 0.87 MAPT (0.34) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7683047 0.85 PDE4A (0.38) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7683343 0.83 PDE4B (0.39) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7682078 0.83 ALDH1A1 (0.42) SORT1RXFP1LMNAMAPTHPGD
SCHEMBL7685558 0.83 PTGS2 (0.42) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL7677586 0.83 HTT (0.41) PDE4DPDE4BPDE4APDE4CS1PR4
SCHEMBL7685899 0.82 ALDH1A1 (0.37) PDE4DPDE4BPDE4APDE4CSORT1
SCHEMBL678914 0.82 P2RX7 (0.38) PDE4DPDE4BPDE4APDE4CSORT1

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