SCHEMBL1775237

SCHEMBL1775237

Cc1onc(-c2ccccc2)c1COc1ccc(NC(=O)c2ccno2)nn1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.56

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
SCHEMBL1777807 0.88 GABRA5 (0.66) GABRA5
SCHEMBL1777091 0.87 GABRA5 (0.56) GABRA5
SCHEMBL1777320 0.85 GABRA5 (0.71) GABRA5
SCHEMBL1775952 0.85 GABRA5 (0.66) GABRA5
SCHEMBL1777512 0.83 GABRA5 (0.72) GABRA5
SCHEMBL1776328 0.83 GABRA5 (0.72) GABRA5
SCHEMBL1777696 0.83 GABRA5 (0.59) GABRA5
SCHEMBL1776414 0.83 GABRA5 (0.61) GABRA5
SCHEMBL1775339 0.82 GABRA5 (0.59) GABRA5
SCHEMBL1777224 0.82 GABRA5 (0.58) 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-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US claimed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US disclosed