SCHEMBL6681616

SCHEMBL6681616

CC1=C([Te]c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 9/20 0.48
CDC25A P30304 7/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
S100A4 P26447 7/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
BLM P54132 3/20 0.44
PLIN1 O60240 2/20 0.44
MAOA P21397 2/20 0.44
MAPK1 P28482 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL31238243 1.00 CDC25B (0.48) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL571026 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL29941466 0.75 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
Water SCHEMBL8664586 0.73 CDC25B (0.65) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL22874151 0.72 CDC25B (0.54) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL7915423 0.72 CDC25B (0.48) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL15491792 0.71 CDC25B (0.62) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL5822470 0.69 CDC25B (0.50) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL1556617 0.69 CDC25B (0.60) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL12761943 0.68 AURKA (0.48) CDC25BCDC25AAURKAAURKBS100A4

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
WO-2004047925-A2 THERAPEUTIC OXIDATION CATALYSTS EXETER ANTIOXIDANT THERAPEUTICS LIMITED (GB) 2004-06-10 WO disclosed