SCHEMBL6882248

SCHEMBL6882248

O=c1[nH]c(=O)n([C@]2(I)O[C@H](CO)[C@@H](O)[C@H]2O)cc1/C=C/Br

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK2 O00142 12/20 0.56
TK1 P04183 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL6882254 1.00 TK2 (0.56) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL6885381 0.90 TK2 (0.45) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL31398394 0.86 TK2 (0.56) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL6374680 0.86 TK2 (0.56) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3079836 0.82 TK2 (0.52) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL6885486 0.81 LMNA (0.46) TK2TK1TSHRPMP22
SCHEMBL3087455 0.77 TK1 (0.54) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL31439413 0.74 TK2 (0.43) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL30396479 0.74 TK2 (0.46) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL123663 0.73 SLC28A1 (0.49)

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