SCHEMBL18314805

SCHEMBL18314805

Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CNS(=O)(=O)NC(=O)[C@@H]2CC(=O)N2)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ ENPP1 P22413 2/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ HINT1 P49773 1/20 0.47
▸ EPRS1 P07814 2/20 0.45
▸ DNMT1 P26358 2/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ DNMT3B Q9UBC3 1/20 0.45
▸ ADA P00813 1/20 0.44
▸ STING1 Q86WV6 1/20 0.43

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 0.86 HINT1 (0.62) HINT1EPRS1
SCHEMBL18314956 0.82 ADORA3 (0.50) HINT1EPRS1DNMT1
SCHEMBL20711303 0.81 POLB (0.51) POLBENPP1P2RY1
SCHEMBL18314784 0.81 PI4KA (0.58) HINT1EPRS1DNMT1
SCHEMBL18314781 0.78 HINT1 (0.60) HINT1EPRS1
SCHEMBL18314780 0.78 HINT1 (0.60) HINT1EPRS1
SCHEMBL18314785 0.75 EPRS1 (0.48) HINT1EPRS1STING1
SCHEMBL3691593 0.74 POLB (0.64) POLBENPP1P2RY1ADASTING1
SCHEMBL18314782 0.74 EPRS1 (0.76) HINT1EPRS1DNMT1DNMT3B
SCHEMBL31533324 0.74 EPRS1 (0.76) HINT1EPRS1DNMT1DNMT3B

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
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