SCHEMBL13835111

SCHEMBL13835111

Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1S

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.83
HSD17B10 Q99714 1/20 0.83
NADK O95544 1/20 0.68
SIRT2 Q8IXJ6 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
ADORA3 P0DMS8 2/20 0.60
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
TRPM2 O94759 1/20 0.59
SLC28A2 O43868 7/20 0.58
HSPA8 P11142 3/20 0.58
HSPA5 P11021 2/20 0.58
ADORA2A P29274 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL7258959 0.91 GAPDH (0.69) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL15906322 0.91 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1106676 0.91 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1097451 0.91 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1097445 0.91 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL13835108 0.85 GAPDH (0.84) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL30484788 0.84 SLC28A2 (0.60) GAPDHHSD17B10ADORA3EGFRERBB2
SCHEMBL1099269 0.82 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL952182 0.82 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1099264 0.82 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1

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-2707483-B1 METHODS AND MATERIALS FOR NUCLEIC ACID MANIPULATION RWTH AACHEN UNIV (DE) 2017-10-18 EP disclosed
US-20120295311-A1 Methods and Materials for Nucleic Acid Manipulation BASF SE (DE) 2012-11-22 US disclosed