SCHEMBL288559

SCHEMBL288559

Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)OCC(N)=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.54
ITGA5 P08648 2/20 0.47
GABRA1 P14867 1/20 0.42

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
SCHEMBL287532 0.89 GABRA5 (0.52) GABRA5
SCHEMBL288200 0.88 GABRA5 (0.66) GABRA5ITGA5
SCHEMBL288742 0.85 GABRA5 (0.65) GABRA5ITGA5
SCHEMBL1776592 0.85 ITGA5 (0.61) GABRA5ITGA5GABRA1
SCHEMBL289211 0.83 GABRA5 (0.57) GABRA5ITGA5GABRA1
SCHEMBL288771 0.81 GABRA5 (0.55) GABRA5ITGA5GABRA1
SCHEMBL288662 0.81 GABRA5 (0.68) GABRA5ITGA5GABRA1
SCHEMBL287977 0.80 GABRA5 (0.55) GABRA5ITGA5GABRA1
SCHEMBL288663 0.80 GABRA5 (0.54) GABRA5ITGA5GABRA1
SCHEMBL288229 0.79 GABRA5 (0.70) GABRA5ITGA5GABRA1

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
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed