SCHEMBL18314956

SCHEMBL18314956

COC1[C@@H](CNS(=O)(=O)NC(=O)[C@@H]2CC(=O)N2)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.50
▸ HINT1 P49773 1/20 0.49
▸ EPRS1 P07814 2/20 0.49
▸ DNMT1 P26358 1/20 0.47
▸ ADORA2B P29275 1/20 0.44

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
SCHEMBL18314801 0.87 HINT1 (0.62) ADORA3HINT1EPRS1ADORA2B
SCHEMBL18314784 0.85 PI4KA (0.58) HINT1EPRS1DNMT1
SCHEMBL18314805 0.82 POLB (0.48) HINT1EPRS1DNMT1
SCHEMBL23547889 0.81 ADORA3 (0.55) ADORA3ADORA2B
SCHEMBL18314780 0.79 HINT1 (0.60) HINT1EPRS1
SCHEMBL18314781 0.79 HINT1 (0.60) HINT1EPRS1
SCHEMBL18314786 0.77 PI4KA (0.55) HINT1EPRS1DNMT1
SCHEMBL25604993 0.76 ADORA3 (0.50) ADORA3
SCHEMBL25605822 0.76 ADORA3 (0.50) ADORA3
SCHEMBL18314782 0.76 EPRS1 (0.76) HINT1EPRS1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201374-A1 SULFANIDE ADENOSINE DERIVATIVES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-15 — — WO disclosed
Send feedback