SCHEMBL9888032

SCHEMBL9888032

O=c1[nH]cnc2c(CN3CC(O)[C@@H](CSO)C3)c[nH]c12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.82
MTAP Q13126 3/20 0.56

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
SCHEMBL4736861 0.90 PNP (1.00) PNPMTAP
SCHEMBL9888095 0.90 PNP (1.00) PNPMTAP
SCHEMBL9888006 0.90 PNP (1.00) PNPMTAP
SCHEMBL9888033 0.90 PNP (1.00) PNPMTAP
SCHEMBL9888209 0.89 PNP (0.85) PNPMTAP
SCHEMBL15315682 0.89 PNP (0.85) PNPMTAP
Ulodesine SCHEMBL12715509 0.88 PNP (1.00) PNP
Ulodesine SCHEMBL4736609 0.88 PNP (1.00) PNP
Ulodesine SCHEMBL13606448 0.88 PNP (1.00) PNP
Ulodesine SCHEMBL474735 0.88 PNP (1.00) PNP

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-2012074912-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-06-07 WO disclosed