SCHEMBL7644575

SCHEMBL7644575

Cc1cn([C@@H]2O[C@H](CO)C(OC(=O)OCC(C)c3ccccc3[N+](=O)[O-])C2O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.45
TYMP P19971 5/20 0.42
RNASE1 P07998 1/20 0.41
P2RY2 P41231 1/20 0.36
PYGM P11217 1/20 0.36

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
SCHEMBL7644973 0.92 TK2 (0.44) TK2TYMPRNASE1P2RY2PYGM
SCHEMBL7644542 0.91 TK2 (0.45) TK2TYMPRNASE1
SCHEMBL7055027 0.90 TK2 (0.42) TK2TYMPRNASE1PYGM
SCHEMBL7048230 0.90 TK2 (0.42) TK2TYMPRNASE1PYGM
SCHEMBL7053660 0.90 TK2 (0.42) TK2TYMPRNASE1PYGM
SCHEMBL6891984 0.87 DNPH1 (0.38) TK2P2RY2
SCHEMBL7777987 0.85 TK2 (0.43) TK2TYMPRNASE1PYGM
SCHEMBL6573680 0.84 RNASE1 (0.59) TK2RNASE1
SCHEMBL6572381 0.84 RNASE1 (0.59) TK2RNASE1
SCHEMBL6891122 0.82 P2RY6 (0.38) P2RY2

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
EP-1212338-B1 Nucleoside derivatives with photolabile protective groups DEUTSCHES KREBSFORSCH (DE) 2012-11-21 EP disclosed
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed