SCHEMBL535936

SCHEMBL535936

Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCSC(=O)C2=O)cn1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.72

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
SCHEMBL535889 0.89 GABRA5 (0.57) GABRA5
SCHEMBL2926911 0.87 GABRA5 (0.70) GABRA5
SCHEMBL2930487 0.84 GABRA5 (1.00) GABRA5
SCHEMBL2686447 0.81 GABRA5 (1.00) GABRA5
SCHEMBL2959565 0.80 GABRA5 (0.84) GABRA5
SCHEMBL2924430 0.79 GABRA5 (1.00) GABRA5
SCHEMBL2924213 0.78 GABRA5 (1.00) GABRA5
SCHEMBL2929451 0.77 GABRA5 (0.70) GABRA5
SCHEMBL2932474 0.77 GABRA5 (0.70) GABRA5
SCHEMBL535822 0.75 GABRA5 (1.00) GABRA5

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-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed