SCHEMBL358225

SCHEMBL358225

CCOc1cc(C2CC=NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 20/20 0.68
TACR3 P29371 4/20 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
SCHEMBL369132 0.83 ADH5 (0.79) ADH5TACR3
SCHEMBL876440 0.81 ADH5 (1.00) ADH5TACR3
SCHEMBL876441 0.81 ADH5 (1.00) ADH5TACR3
SCHEMBL1516310 0.81 ADH5 (1.00) ADH5TACR3
SCHEMBL872782 0.77 ADH5 (0.69) ADH5TACR3
SCHEMBL11980183 0.75 ADH5 (0.83) ADH5TACR3
SCHEMBL876894 0.73 ADH5 (0.81) ADH5TACR3
SCHEMBL877132 0.73 ADH5 (0.86) ADH5TACR3
SCHEMBL877202 0.72 ADH5 (1.00) ADH5TACR3
SCHEMBL877943 0.72 ADH5 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592934-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009227-A1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-01-19 WO disclosed