SCHEMBL2214162

SCHEMBL2214162

COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc(OC)c(NC(=O)CN(C)C)c2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MET P08581 1/20 0.45
NQO2 P16083 1/20 0.45
FECH P22830 1/20 0.45
CLK3 P49761 1/20 0.45

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
SCHEMBL2211520 0.88 PLK1 (0.53) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2211511 0.88 PLK1 (0.53) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2211496 0.88 PLK1 (0.53) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2211481 0.88 PLK1 (0.53) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2210291 0.85 PLK1 (0.49) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2210303 0.85 PLK1 (0.49) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2213413 0.85 SMN1; SMN2 (0.54) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2213268 0.84 PLK1 (0.48) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL2213252 0.84 PLK1 (0.48) PLK1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1634974 0.84 PLK1 (0.42) PLK1HDAC4HDAC1HDAC6HDAC3

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