SCHEMBL13835110

SCHEMBL13835110

Nc1ncnc2c1nc(Sc1ccccc1)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.70
HSD17B10 Q99714 1/20 0.70
HSPA8 P11142 3/20 0.67
HSPA5 P11021 2/20 0.67
ADORA3 P0DMS8 2/20 0.66
SLC28A2 O43868 4/20 0.65
ADORA2A P29274 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
NADK O95544 1/20 0.60
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
SLC29A1 Q99808 1/20 0.59
ADK P55263 1/20 0.58

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
SCHEMBL13835106 1.00 GAPDH (0.70) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL30316415 0.90 CYP3A4 (0.67) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL7258957 0.90 HSPA8 (0.66) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL578218 0.90 CYP3A4 (0.67) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL3485985 0.90 CYP3A4 (0.67) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL7258948 0.90 HSPA8 (0.66) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL30237448 0.89 HSD17B10 (0.56) GAPDHHSD17B10HSPA8HSPA5ADORA3
SCHEMBL13834974 0.88 SLC28A2 (0.68) GAPDHHSD17B10HSPA8HSPA5SLC28A2
SCHEMBL13834979 0.88 SLC28A2 (0.68) GAPDHHSD17B10HSPA8HSPA5SLC28A2
SCHEMBL7258733 0.87 HSPA8 (0.68) GAPDHHSD17B10HSPA8HSPA5ADORA3

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