SCHEMBL4655381

SCHEMBL4655381

COc1cc(OC)c(/C=C/NS(=O)(=O)Cc2ccc(OC)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
TTR P02766 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.39
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PLK1 P53350 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1634897 0.88 PLK1 (0.48) HPGDTTRMEN1KMT2AMAPT
SCHEMBL1634039 0.83 HPGD (0.43) HPGDTTRMEN1KMT2AMAPT
SCHEMBL4656773 0.81 MAPT (0.45) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL1634646 0.79 HPGD (0.44) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL1634055 0.78 KMT2A (0.46) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL4656782 0.77 PLK1 (0.41) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL4655383 0.76 PLK1 (0.38) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13638231 0.74 PLK1 (0.55) HPGDTTRMEN1KMT2AMAPT
SCHEMBL4657982 0.74 PLK1 (0.48) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4655559 0.74 PLK1 (0.48) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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