SCHEMBL8377337

SCHEMBL8377337

Cc1cn([C@@]2(C(=O)c3ccccc3[N+](=O)[O-])C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 1/20 0.38
LGALS4 P56470 1/20 0.38
RNASE1 P07998 1/20 0.37
TK1 P04183 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7040496 0.85 TYMS (0.37) LGALS3RNASE1TK1KDM4E
SCHEMBL5148089 0.84 RNASE1 (0.46) RNASE1TK1
SCHEMBL3694341 0.81 TK1 (0.43) RNASE1TK1
SCHEMBL888184 0.81 RNASE1 (0.35) RNASE1TK1
SCHEMBL6536213 0.80 TK1 (0.42) TK1
SCHEMBL5709920 0.80 TK1 (0.40) RNASE1TK1
SCHEMBL28239487 0.79 TK1 (0.41) TK1
SCHEMBL27651863 0.79 TK1 (0.41) TK1
SCHEMBL28293851 0.78 TK1 (0.39) RNASE1TK1
SCHEMBL29927067 0.78 RNASE1 (0.39) RNASE1TK1

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-0902788-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1999-03-24 EP disclosed
WO-1997042207-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1997-11-13 WO disclosed