SCHEMBL286342

SCHEMBL286342

Cc1onc(-c2ccccn2)c1COc1cc(C(=O)O[C@@H](C)C(N)=O)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.52
ITGA5 P08648 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL286174 0.88 GABRA5 (0.67) GABRA5ITGA5
SCHEMBL286424 0.85 GABRA5 (0.64) GABRA5ITGA5
SCHEMBL286425 0.84 GABRA5 (0.52) GABRA5
SCHEMBL286659 0.84 GABRA5 (0.52) GABRA5
SCHEMBL286045 0.84 GABRA5 (0.52) GABRA5
SCHEMBL286300 0.84 GABRA5 (0.67) GABRA5ITGA5
SCHEMBL7870299 0.81 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL2628069 0.81 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL286341 0.81 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL286301 0.81 GABRA5 (0.54) GABRA5ITGA5

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-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed