SCHEMBL7240891

SCHEMBL7240891

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
POLA1 P09884 1/20 0.52
POLD1 P28340 1/20 0.52
P2RY2 P41231 5/20 0.45
P2RY4 P51582 2/20 0.45
P2RY6 Q15077 5/20 0.44
DTYMK P23919 2/20 0.43
TK1 P04183 3/20 0.42

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
SCHEMBL7243147 0.90 TK1 (0.51) POLBTK1
SCHEMBL29538414 0.88 POLB (0.51) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL3715513 0.88 POLB (0.51) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL29723202 0.88 POLB (0.51) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL31742537 0.87 POLB (0.51) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL5191085 0.86 POLB (0.50) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL5285301 0.84 POLB (0.48) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL15515984 0.84 POLB (0.56) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL8441087 0.84 P2RY6 (0.59) POLA1P2RY2P2RY4P2RY6
SCHEMBL5409945 0.83 POLB (0.51) POLBPOLA1POLD1P2RY2P2RY4

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