SCHEMBL286529

SCHEMBL286529

Cc1onc(-c2ccccc2)c1COc1cc(C(=O)OCC(N)=O)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.54

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
SCHEMBL286171 0.89 GABRA5 (0.57) GABRA5
SCHEMBL286471 0.88 GABRA5 (0.65) GABRA5
SCHEMBL286365 0.87 GABRA5 (0.59) GABRA5
SCHEMBL1779475 0.84 GABRA1 (0.61) GABRA5
SCHEMBL286181 0.83 GABRA5 (0.57) GABRA5
SCHEMBL285794 0.82 GABRA5 (0.67) GABRA5
SCHEMBL286645 0.81 GABRA5 (0.55) GABRA5
SCHEMBL286618 0.81 GABRA5 (0.55) GABRA5
SCHEMBL287532 0.80 GABRA5 (0.52) GABRA5
SCHEMBL286115 0.80 GABRA5 (0.68) 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
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed