SCHEMBL5069811

SCHEMBL5069811

CCOC(=O)CCS(=O)(=O)c1ccc2nc(C)c(C(N)=O)c(Nc3cccc4c3CCO4)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
MTNR1B P49286 2/20 0.39
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR4 O95977 1/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR9 Q9NR96 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4267956 0.79 PDE4B (0.58) PDE4BMTNR1BALDH1A1LMNAKMT2A
SCHEMBL4948751 0.76 PDE4B (0.70) PDE4BMTNR1BP2RX7MAPT
SCHEMBL1275581 0.70 PDE4B (1.00) PDE4B
SCHEMBL1276433 0.69 PDE4B (0.81) PDE4B
SCHEMBL1276130 0.68 PDE4B (0.62) PDE4BMTNR1BKCNH2ATM
SCHEMBL4627075 0.68 PDE4B (0.82) PDE4B
SCHEMBL2511729 0.67 PDE4B (0.63) PDE4BMTNR1B
SCHEMBL4262700 0.67 PDE4B (0.60) PDE4BMTNR1BKCNH2
SCHEMBL12204105 0.66 PDE4B (0.60) PDE4BMTNR1B
SCHEMBL4627565 0.65 PDE4B (0.79) PDE4B

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
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed