SCHEMBL2954292

SCHEMBL2954292

Cc1cn([C@@]2(I)C[C@H](O)[C@@H](COP(N)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.38
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2954285 0.88 TK1 (0.40) TK1
SCHEMBL1891892 0.86 TK1 (0.38) TK1ALDH1A1NPSR1POLB
SCHEMBL27835422 0.85 TK1 (0.37) TK1ALDH1A1NPSR1POLB
SCHEMBL5849101 0.84 TK1 (0.43) TK1ALDH1A1POLB
SCHEMBL7743997 0.80 TK1 (0.37) TK1
SCHEMBL1891880 0.73 TK1 (0.40) TK1ALDH1A1POLB
SCHEMBL210837 0.72 POLB (0.63) TK1POLB
SCHEMBL888124 0.71 TK1 (0.37) TK1ALDH1A1NPSR1POLB
SCHEMBL660497 0.70 TK1 (0.45) TK1ALDH1A1POLB
SCHEMBL31627956 0.70 TK1 (0.43) TK1ALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749699-B2 Detection of chemical ligation using fluorescence quenching leaving groups THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-07-06 US disclosed
EP-1543156-A4 DETECTION OF CHEMICAL LIGATION USING FLUORESCENCE QUENCHING LEAVING GROUPS UNIV LELAND STANFORD JUNIOR (US) 2005-12-21 EP disclosed
EP-1543156-A2 DETECTION OF CHEMICAL LIGATION USING FLUORESCENCE QUENCHING LEAVING GROUPS The Board of Trustees of the Leland Stanford Junior University (US) 2005-06-22 EP disclosed
US-20040259102-A1 DETECTION OF CHEMICAL LIGATION USING FLUORESCENCE QUENCHING LEAVING GROUPS STANFORD UNIVERSITY (US) 2004-12-23 US disclosed
WO-2004010101-A2 DETECTION OF CHEMICAL LIGATION USING FLUORESCENCE QUENCHING LEAVING GROUPS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-01-29 WO disclosed