SCHEMBL5722896

SCHEMBL5722896

COc1ccc(C(=O)Nc2ccncc2)c2c1CC1(CCCC1CS(=O)(=O)O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KCNMA1 Q12791 1/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 2/20 0.38
TYK2 P29597 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL7604950 0.85 KCNMA1 (0.41) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL6837613 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5722888 0.82 KCNMA1 (0.41) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL6837363 0.80 PKM (0.47) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5722858 0.78 PKM (0.50) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5723143 0.74 KCNMA1 (0.48) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5723120 0.71 KCNMA1 (0.52) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5722998 0.71 SMN1; SMN2 (0.46) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL6836458 0.71 KCNMA1 (0.56) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5723108 0.70 NR1H4 (0.33) PDE4APDE4BPDE4CPDE4D

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-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed