SCHEMBL4715477

SCHEMBL4715477

COc1cc(OC)c(C=CNS(=O)(=O)Cc2ccc(OC)c(C(C(=O)[O-])[n+]3ccccc3)c2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.44
MET P08581 1/20 0.43
NQO2 P16083 1/20 0.43
FECH P22830 1/20 0.43
CLK3 P49761 1/20 0.43
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
PTK2B Q14289 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL4715471 1.00 PLK1 (0.44) PLK1METNQO2FECHCLK3
SCHEMBL1634262 0.86 PLK1 (0.57) PLK1METNQO2FECHCLK3
SCHEMBL1634264 0.86 PLK1 (0.57) PLK1METNQO2FECHCLK3
SCHEMBL4655612 0.82 PLK1 (0.48) PLK1METNQO2FECHCLK3
SCHEMBL4655606 0.82 PLK1 (0.48) PLK1METNQO2FECHCLK3
SCHEMBL1634075 0.81 PLK1 (0.38) PLK1METNQO2FECHCLK3
SCHEMBL1634080 0.81 PLK1 (0.38) PLK1METNQO2FECHCLK3
SCHEMBL4715474 0.79 PLK1 (0.44) PLK1METNQO2FECHCLK3
SCHEMBL2422893 0.77 PLK1 (0.56) PLK1METNQO2FECHCLK3
SCHEMBL4655559 0.77 PLK1 (0.48) PLK1METNQO2FECHCLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP disclosed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP disclosed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 WO disclosed