SCHEMBL6887932

SCHEMBL6887932

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)cc1C=CCl

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.55
P2RY2 P41231 3/20 0.54
TYMP P19971 12/20 0.53
P2RY6 Q15077 1/20 0.44
PYGM P11217 1/20 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
SCHEMBL2578434 0.92 TK2 (0.48) TK2P2RY2TYMP
SCHEMBL2583126 0.92 TK2 (0.50) TK2P2RY2TYMP
SCHEMBL2575472 0.85 TK2 (0.58) TK2P2RY2TYMP
SCHEMBL2579346 0.85 TK2 (0.57) TK2P2RY2TYMP
SCHEMBL2578125 0.85 TK2 (0.42) TK2P2RY2TYMP
SCHEMBL2586206 0.85 TK2 (0.44) TK2P2RY2TYMP
SCHEMBL2589811 0.84 TK2 (0.53) TK2P2RY2TYMP
SCHEMBL2580985 0.84 TK2 (0.49) TK2P2RY2TYMP
SCHEMBL8535399 0.84 TYMP (0.57) TK2TYMP
SCHEMBL9229284 0.84 HSP90AA1 (0.60) P2RY2TYMPP2RY6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed