SCHEMBL3978670

SCHEMBL3978670

C=C(Br)c1cn([C@]2(F)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.37
TK2 O00142 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.32
ADRA1A P35348 1/20 0.32
TK1 P04183 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PYGB P11216 2/20 0.31

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
SCHEMBL3968330 0.85 PYGM (0.37) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL3973110 0.84 PYGM (0.37) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL5614068 0.83 PYGM (0.50) PYGMTK2LMNASMN1; SMN2ALOX12
SCHEMBL1740177 0.82 LMNA (0.47) PYGMTK2LMNASMN1; SMN2ALOX12
SCHEMBL3968348 0.81 PYGM (0.35) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL16042097 0.81 TK1 (0.42) TK2LMNAADRA1ATK1BLM
SCHEMBL3079827 0.81 PYGM (0.34) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL8951921 0.81 RNASE1 (0.36) PYGMTK2LMNASMN1; SMN2
SCHEMBL9545108 0.80 TK2 (0.40) PYGMTK2LMNASMN1; SMN2ALOX12
SCHEMBL3087451 0.80 LMNA (0.37) PYGMTK2LMNASMN1; SMN2ALOX12

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-2054406-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotect GmbH (DE) 2009-05-06 EP disclosed
WO-2008017515-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2008-02-14 WO disclosed