SCHEMBL2954285

SCHEMBL2954285

Cc1cn([C@@]2(I)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.NP(O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.40
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALB P02768 1/20 0.37
PKM P14618 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL5849101 0.94 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL2954292 0.88 TK1 (0.38) TK1
SCHEMBL1891880 0.85 TK1 (0.40) TK1LMNATSHRALBPKM
SCHEMBL660497 0.81 TK1 (0.45) TK1LMNATSHRALBPKM
SCHEMBL6832192 0.81 TK1 (0.45) TK1LMNATSHRALBPKM
SCHEMBL29364921 0.81 TK1 (0.45) TK1LMNATSHRALBPKM
SCHEMBL1517629 0.80 TK1 (0.44) TK1LMNATSHRALBPKM
SCHEMBL16187026 0.80 TK1 (0.44) TK1LMNATSHRALBPKM
SCHEMBL4809531 0.80 TK1 (0.44) TK1LMNATSHRALBPKM
SCHEMBL135210 0.80 TK1 (0.44) TK1LMNATSHRALBPKM

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