SCHEMBL5041669

SCHEMBL5041669

CNS(=O)(=O)c1ccc(OC2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.52
BAZ2B Q9UIF8 1/20 0.52
SYK P43405 2/20 0.44
TSHR P16473 1/20 0.43
SLC6A9 P48067 1/20 0.42
IDH2 P48735 1/20 0.41
PDE4D Q08499 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
MAPK1 P28482 1/20 0.41
APEX1 P27695 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5045483 0.89 FABP4 (0.43) SYKTSHRSLC6A9PDE4DPDE4A
SCHEMBL2825503 0.89 FABP4 (0.45) SYKTSHRPDE4DPDE4APDE4B
SCHEMBL5037704 0.87 KAT2B (0.46) KAT2BBAZ2BSYKTSHRSLC6A9
SCHEMBL4424161 0.86 SLC6A9 (0.53) KAT2BBAZ2BSYKSLC6A9PDE4D
SCHEMBL15144072 0.80 BRD4 (0.49) KAT2BBAZ2BSYKSLC6A9PDE4D
SCHEMBL2830062 0.78 YAP1 (0.48) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL3878089 0.76 MAPK1 (0.62) TSHRMAPK1APEX1
SCHEMBL5042130 0.76 SLC6A9 (0.66) SLC6A9GAA
SCHEMBL5041727 0.76 MAPK1 (0.48) TSHRPDE4DPDE4APDE4BPDE4C
SCHEMBL25314851 0.76 KAT2B (0.50) KAT2BBAZ2BSYKPDE4DPDE4A

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed