SCHEMBL4657805

SCHEMBL4657805

COc1cc(OC)c(C=C[S+]([O-])Cc2ccc(OC)c(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
ALOX5 P09917 5/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.39
PTGES O14684 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL1635532 1.00 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1635983 0.93 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1634840 0.85 ABCG2 (0.40) MAPTMEN1KMT2AHTTLMNA
SCHEMBL1634855 0.85 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1634857 0.85 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3231497 0.84 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1634386 0.83 ABCG2 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1635394 0.83 PLK1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1635404 0.83 ABCG2 (0.42) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL1635408 0.83 ABCG2 (0.42) ALDH1A1MAPTHTTLMNAGAA

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 4 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 claimed
JP-2007529530-A 2007-10-25 JP claimed
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 claimed
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 claimed