SCHEMBL2210291

SCHEMBL2210291

COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(C)=O)c2)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MET P08581 1/20 0.47
NQO2 P16083 1/20 0.47
FECH P22830 1/20 0.47

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
SCHEMBL2210303 1.00 PLK1 (0.49) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2213252 0.90 PLK1 (0.48) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2213268 0.90 PLK1 (0.48) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18437924 0.88 PLK1 (0.47) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18437923 0.88 PLK1 (0.47) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18437678 0.87 PLK1 (0.46) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2211511 0.87 PLK1 (0.53) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2209417 0.87 CYP1A2 (0.47) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18437681 0.87 PLK1 (0.46) PLK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2211481 0.87 PLK1 (0.53) PLK1HDAC3HDAC4HDAC1HDAC7

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-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP claimed
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP disclosed