SCHEMBL18314780

SCHEMBL18314780

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

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.60
▸ EPRS1 P07814 2/20 0.59
▸ IMPDH2 P12268 2/20 0.52
▸ IMPDH1 P20839 2/20 0.52

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
SCHEMBL18314781 1.00 HINT1 (0.60) HINT1EPRS1IMPDH2IMPDH1
SCHEMBL18314801 0.91 HINT1 (0.62) HINT1EPRS1IMPDH2IMPDH1
SCHEMBL18314785 0.88 EPRS1 (0.48) HINT1EPRS1
SCHEMBL31533324 0.87 EPRS1 (0.76) HINT1EPRS1
SCHEMBL18314782 0.87 EPRS1 (0.76) HINT1EPRS1
SCHEMBL18314786 0.87 PI4KA (0.55) HINT1EPRS1
SCHEMBL18314956 0.79 ADORA3 (0.50) HINT1EPRS1
SCHEMBL7102573 0.78 DPP4 (0.69) —
SCHEMBL20711309 0.78 TRPM2 (0.66) —
SCHEMBL18314784 0.78 PI4KA (0.58) HINT1EPRS1

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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