SCHEMBL12836445

SCHEMBL12836445

CCOc1cc(C2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc(N)c1O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADH5 P11766 20/20 0.79
▸ TACR3 P29371 6/20 0.64

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
SCHEMBL12836431 0.90 ADH5 (0.77) ADH5TACR3
SCHEMBL873520 0.89 ADH5 (0.77) ADH5TACR3
SCHEMBL872907 0.89 ADH5 (0.77) ADH5TACR3
SCHEMBL1515742 0.89 ADH5 (0.77) ADH5TACR3
SCHEMBL876440 0.88 ADH5 (1.00) ADH5TACR3
SCHEMBL1516310 0.88 ADH5 (1.00) ADH5TACR3
SCHEMBL876441 0.88 ADH5 (1.00) ADH5TACR3
SCHEMBL873053 0.88 ADH5 (0.76) ADH5TACR3
SCHEMBL15965802 0.81 ADH5 (0.66) ADH5TACR3
SCHEMBL1516289 0.81 ADH5 (0.74) ADH5TACR3

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-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 — — WO disclosed
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