SCHEMBL7083564

SCHEMBL7083564

COc1cc(C=CC=C2NCSC2(O)O)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP1A1 P04798 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL7083561 0.72 CYP1A1 (0.39) DNMT1KMT2AMEN1HDAC1HDAC2
SCHEMBL7083557 0.72 CYP1A1 (0.39) DNMT1KMT2AMEN1HDAC1HDAC2
SCHEMBL8335512 0.72 PDE4B (0.46) DNMT1KMT2AMEN1HDAC1HDAC2
SCHEMBL6972866 0.72 PDE4B (0.58) KMT2AMEN1PDE4BALDH1A1HPGD
SCHEMBL6972871 0.72 PDE4B (0.58) KMT2AMEN1PDE4BALDH1A1HPGD
SCHEMBL6966726 0.70 XDH (0.60) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL6966722 0.70 XDH (0.60) KMT2AMEN1HDAC1HDAC2HDAC8
SCHEMBL6583878 0.69 PDE4B (0.43) DNMT1KMT2AMEN1HDAC1HDAC2
SCHEMBL6583882 0.69 PDE4B (0.46) DNMT1KMT2AMEN1HDAC1HDAC2
SCHEMBL6583873 0.69 PDE4B (0.43) DNMT1KMT2AMEN1HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed