SCHEMBL7207626

SCHEMBL7207626

COc1ccc(C(OC[C@H]2O[C@@](CCNC(=O)c3ccccc3)(n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)OP(O)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK2 O00142 12/20 0.36
TK1 P04183 6/20 0.33
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32

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
SCHEMBL8024558 0.90 TK2 (0.36) TK2TK1
SCHEMBL6831414 0.78 TK1 (0.38) TK2TK1
SCHEMBL6831419 0.78 TK1 (0.38) TK2TK1
SCHEMBL7207621 0.76 RNASE1 (0.37) TK2TK1PLD2PLD1
SCHEMBL6831448 0.75 TK2 (0.36) TK2TK1PLD2PLD1
SCHEMBL7899020 0.72 TK2 (0.41) TK2TK1
SCHEMBL6836547 0.71 MAPT (0.36)
SCHEMBL26653633 0.69 TK1 (0.34) TK2TK1
SCHEMBL7207527 0.69 RNASE1 (0.34) TK2TK1
SCHEMBL8932076 0.68 TYMP (0.39) TK2TK1

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
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed