SCHEMBL28289151

SCHEMBL28289151

CC(C)(C)C(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.71
GABRB2 P47870 13/20 0.71
GABRB1 P18505 1/20 0.68
GABRA3 P34903 1/20 0.68

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
SCHEMBL4451135 0.86 GABRA1 (0.75) GABRA1GABRB2GABRB1GABRA3
SCHEMBL28289119 0.85 GABRA1 (0.68) GABRA1GABRB2GABRB1GABRA3
SCHEMBL28287746 0.84 GABRA1 (0.72) GABRA1GABRB2GABRB1GABRA3
SCHEMBL4650044 0.82 GABRA1 (0.70) GABRA1GABRB2GABRB1GABRA3
SCHEMBL7728970 0.81 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3
SCHEMBL17338542 0.80 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3
SCHEMBL5670689 0.80 GABRA1 (0.73) GABRA1GABRB2GABRB1GABRA3
SCHEMBL28871557 0.80 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3
SCHEMBL17338633 0.80 GABRA1 (0.60) GABRA1GABRB2GABRB1GABRA3
SCHEMBL17338622 0.79 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3

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
CN-109651247-A A kind of green high-efficient synthetic method of carbostyril compound 云南民族大学 2019-04-19 CN disclosed