SCHEMBL4376144

SCHEMBL4376144

Nc1ncnc2c1nc(CCCCS)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 4/20 0.69
HSPA5 P11021 2/20 0.69
RXFP1 Q9HBX9 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
HBB P68871 1/20 0.63
GAPDH P04406 3/20 0.61
HSD17B10 Q99714 1/20 0.61
ADORA3 P0DMS8 3/20 0.58
SLC28A2 O43868 3/20 0.56
AMD1 P17707 1/20 0.56
FBP1 P09467 1/20 0.55
DPP4 P27487 1/20 0.55
MEN1 O00255 1/20 0.55
SLC28A1 O00337 1/20 0.55
MAP3K7 O43318 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55

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
SCHEMBL6825727 0.93 HSPA8 (0.73) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL5672460 0.92 HSPA8 (0.69) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL5672454 0.92 HSPA8 (0.69) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL7027923 0.92 HSPA8 (0.72) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL6897817 0.91 HSPA8 (0.68) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL3074979 0.87 HSPA8 (0.72) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL3074984 0.87 HSPA8 (0.72) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL6822434 0.87 HSPA8 (0.63) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL4376135 0.87 HSPA8 (0.66) HSPA8HSPA5RXFP1SMN1; SMN2LMNA
SCHEMBL1097926 0.85 HSPA8 (0.75) HSPA8HSPA5RXFP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3622092-A2 METHODS AND COMPOSITIONS OF USE OF CD8+ TUMOR INFILTRATING LYMPHOCYTE SUBTYPES AND GENE SIGNATURES THEREOF The Broad Institute, Inc. (US) 2020-03-18 EP disclosed
WO-2018209324-A2 METHODS AND COMPOSITIONS OF USE OF CD8+ TUMOR INFILTRATING LYMPHOCYTE SUBTYPES AND GENE SIGNATURES THEREOF THE BROAD INSTITUTE, INC. (US) 2018-11-15 WO disclosed
EP-2019834-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-02-04 EP disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed