SCHEMBL9888093

SCHEMBL9888093

O=c1[nH]cnc2c([C@H]3CC(O)[C@@H](CSc4ccccc4)N3)c[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 19/20 0.69
MTAP Q13126 1/20 0.46

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
SCHEMBL9888092 0.84 PNP (0.76) PNP
SCHEMBL20850785 0.82 PNP (1.00) PNP
SCHEMBL15318144 0.82 PNP (1.00) PNPMTAP
SCHEMBL9888117 0.82 PNP (1.00) PNPMTAP
SCHEMBL9888103 0.72 PNP (0.81) PNPMTAP
SCHEMBL9888011 0.71 PNP (0.74) PNPMTAP
SCHEMBL15315681 0.71 PNP (0.74) PNPMTAP
SCHEMBL15318140 0.71 PNP (0.74) PNPMTAP
SCHEMBL12330341 0.68 PNP (0.60) PNP
SCHEMBL9888007 0.68 PNP (0.77) 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