SCHEMBL7243147

SCHEMBL7243147

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

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.51
TYMS P04818 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7240891 0.90 POLB (0.52) TK1POLB
Phosphoric Acid SCHEMBL7240883 0.86 TYMP (0.43) TK1
Phosphoric Acid SCHEMBL7243142 0.86 TYMP (0.43) TK1
SCHEMBL26125047 0.85 TK1 (0.48) TK1TYMSPOLB
SCHEMBL13253917 0.83 ALDH1A1 (0.42) TK1
SCHEMBL16187026 0.83 TK1 (0.44) TK1POLB
SCHEMBL135210 0.83 TK1 (0.44) TK1POLB
SCHEMBL17515060 0.82 TK1 (0.51) TK1TYMSPOLB
SCHEMBL548543 0.81 TYMS (0.52) TK1TYMSPOLB
SCHEMBL3092317 0.79 TK1 (0.52) TK1TYMSPOLB

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-6531476-B1 Block multiplication of virus within body and restore immune functions by virtue of inhibitory activity toward platelet activating factor UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2003-03-11 US disclosed
EP-1095029-B1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIV PARIS 7 DENIS DIDEROT (FR) 2002-09-18 EP disclosed
EP-1095029-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - Denis DIDEROT (FR) 2001-05-02 EP disclosed
WO-2000001677-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-01-13 WO disclosed