SCHEMBL5004102

SCHEMBL5004102

O=c1ccn([C@@]2(/C=C/Br)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
P2RY6 Q15077 8/20 0.36
TK1 P04183 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TK2 O00142 2/20 0.32
P2RY14 Q15391 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
SCHEMBL27528956 1.00 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL629554 1.00 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL6035978 0.91 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL1009600 0.89 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL29777381 0.89 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL8098949 0.87 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL8170876 0.87 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL15414027 0.87 SLC28A1 (0.39) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL7394363 0.85 P2RY6 (0.46) P2RY6
SCHEMBL11202241 0.82 POLB (0.41) P2RY6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419968-B1 Methods for treating therapy-resistant tumors CELMED ONCOLOGY (USA), INC. (CA) 2008-09-02 US disclosed
EP-1363928-A1 PROCESS FOR THE PREPARATION OF (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE Menarini Ricerche S.p.A. (IT) 2003-11-26 EP disclosed
WO-2002068443-A1 PROCESS FOR THE PREPARATION OF (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE MENARINI RICERCHE S.P.A. (IT) 2002-09-06 WO disclosed
EP-0104857-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1984-04-04 EP disclosed