SCHEMBL5832477

SCHEMBL5832477

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3cccc([N+](=O)[O-])c3)O2)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.60
POLB P06746 1/20 0.58
P2RY2 P41231 1/20 0.54
P2RY4 P51582 1/20 0.54
TK1 P04183 3/20 0.51

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
SCHEMBL5832481 1.00 TYMS (0.60) TYMSPOLBP2RY2P2RY4TK1
SCHEMBL3063249 0.91 TYMS (0.68) TYMSPOLBTK1
SCHEMBL8428624 0.91 TYMS (0.68) TYMSPOLBTK1
Ammonia Solution, Strong SCHEMBL8170309 0.90 TYMS (0.67) TYMSPOLBTK1
SCHEMBL8424931 0.87 POLB (0.67) TYMSPOLBTK1
SCHEMBL2057388 0.86 TYMS (0.64) TYMSPOLBP2RY2TK1
SCHEMBL8453167 0.86 POLB (0.60) TYMSPOLBTK1
SCHEMBL20582548 0.83 TYMS (0.63) TYMSPOLBP2RY2TK1
Thymidine Monophosphate SCHEMBL20797966 0.82 TYMS (0.75) TYMSPOLBTK1
SCHEMBL2181728 0.82 POLB (0.78) TYMSPOLBTK1

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
US-7087736-B1 Tyrosine DNA phosphodiesterases (TDP) and related polypeptides nucleic acids vectors TDP producing host cells antibodies and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-08 US disclosed
WO-2001025407-A2 TYROSINE-DNA PHOSPHODIESTERASES (TDP) AND RELATED POLYPEPTIDES, NUCLEIC ACIDS, VECTORS, TDP-PRODUCING HOST CELLS, ANTIBODIES AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-04-12 WO disclosed