SCHEMBL4344762

SCHEMBL4344762

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@]2(n3ccc(N)nc3=O)SC[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
KIF11 P52732 4/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28280335 0.76 BACE1 (0.32) BACE1KIF11
SCHEMBL5318029 0.73 BACE1 (0.36) BACE1KIF11KDM4E
SCHEMBL887176 0.70 POLB (0.42)
SCHEMBL3515583 0.70 LMNA (0.35) KIF11
SCHEMBL3515586 0.70 LMNA (0.35) KIF11
SCHEMBL23648799 0.70 PDE3A (0.36) KIF11
SCHEMBL3789736 0.69 NT5E (0.31) KIF11
SCHEMBL5150771 0.69 NT5E (0.51)
SCHEMBL5201335 0.68 TYMP (0.42) BACE1
SCHEMBL1739169 0.68 PDE3A (0.32) KIF11

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-1677822-A4 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2009-08-19 EP disclosed
EP-1677822-A2 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
WO-2005027962-A1 4’-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed