SCHEMBL7053660

SCHEMBL7053660

Cc1cn([C@@H]2O[C@H](CO)C(OC(=O)OCC(C)c3cc(Cl)ccc3[N+](=O)[O-])C2O)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.42
TYMP P19971 5/20 0.41
PYGM P11217 1/20 0.38
LGALS3 P17931 1/20 0.37
LGALS4 P56470 1/20 0.37
RNASE1 P07998 1/20 0.36
TK1 P04183 1/20 0.35

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
SCHEMBL7048230 0.92 TK2 (0.42) TK2TYMPPYGMRNASE1
SCHEMBL7055027 0.92 TK2 (0.42) TK2TYMPPYGMRNASE1
SCHEMBL7644575 0.90 TK2 (0.45) TK2TYMPPYGMRNASE1
SCHEMBL7052187 0.88 PYGM (0.38) TK2TYMPPYGM
SCHEMBL7644973 0.85 TK2 (0.44) TK2TYMPPYGMRNASE1
SCHEMBL7053656 0.84 RNASE1 (0.53) TK2RNASE1TK1
SCHEMBL7566046 0.84 RNASE1 (0.53) TK2RNASE1TK1
SCHEMBL7644542 0.83 TK2 (0.45) TK2TYMPLGALS3LGALS4RNASE1
SCHEMBL7648742 0.80 TK2 (0.43) TK2TYMPPYGM
SCHEMBL7051060 0.80 TERT (0.40) TK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 EP disclosed