SCHEMBL3345508

SCHEMBL3345508

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.42
LMNA P02545 2/20 0.39
ALB P02768 2/20 0.39
BLM P54132 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
PKM P14618 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL8146364 0.91 TK1 (0.42) TK1LMNAALBBLMALDH1A1
SCHEMBL29364921 0.83 TK1 (0.45) TK1LMNAALBBLMALDH1A1
SCHEMBL4809531 0.82 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL16187026 0.82 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL135210 0.82 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL7537552 0.81 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL4542149 0.81 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL660497 0.81 TK1 (0.45) TK1LMNAALBBLMALDH1A1
SCHEMBL9031745 0.81 TK1 (0.46) TK1LMNAALBBLMALDH1A1
SCHEMBL8438314 0.81 TK1 (0.43) TK1LMNAALBBLMALDH1A1

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
WO-2009154828-A9 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO disclosed
WO-2009154828-A2 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-23 WO disclosed
EP-1874801-A4 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIV NORTH CAROLINA (US) 2009-03-25 EP disclosed
EP-1874801-A2 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS The University of North Carolina at Chapel Hill (US) 2008-01-09 EP disclosed
WO-2006096757-A2 INHIBITORS OF RECA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-09-14 WO disclosed