SCHEMBL2929451

SCHEMBL2929451

Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)N2CC[SH4]C(=O)C2=O)cn1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.70

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
SCHEMBL2926911 0.90 GABRA5 (0.70) GABRA5
SCHEMBL2932474 0.86 GABRA5 (0.70) GABRA5
SCHEMBL4154571 0.82 GABRA5 (1.00) GABRA5
SCHEMBL2929670 0.82 GABRA5 (0.82) GABRA5
SCHEMBL2925856 0.80 GABRA5 (1.00) GABRA5
SCHEMBL2927274 0.78 GABRA5 (0.54) GABRA5
SCHEMBL2931662 0.78 GABRA5 (1.00) GABRA5
SCHEMBL2921983 0.78 GABRA1 (0.58) GABRA5
SCHEMBL535936 0.77 GABRA5 (0.72) GABRA5
SCHEMBL2930160 0.77 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-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed