SCHEMBL3968330

SCHEMBL3968330

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.37
TK2 O00142 2/20 0.35
TK1 P04183 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PYGB P11216 2/20 0.32

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
SCHEMBL3973110 0.85 PYGM (0.37) PYGMTK2TK1LMNASMN1; SMN2
SCHEMBL3978670 0.85 PYGM (0.37) PYGMTK2TK1LMNASMN1; SMN2
SCHEMBL3968348 0.82 PYGM (0.35) PYGMTK2TK1LMNASMN1; SMN2
SCHEMBL27349255 0.82 TK1 (0.42) TK1LMNATSHRBLMPMP22
SCHEMBL3079827 0.81 PYGM (0.34) PYGMTK2TK1LMNASMN1; SMN2
SCHEMBL3977864 0.78 RNASE1 (0.35) PYGMTK2
SCHEMBL31398394 0.78 TK2 (0.56) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3087451 0.76 LMNA (0.37) PYGMTK2TK1LMNASMN1; SMN2
SCHEMBL154357 0.74 SLC28A1 (0.49)
SCHEMBL7257326 0.74 PYGM (0.39) PYGMTK2TK1LMNASMN1; SMN2

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