SCHEMBL9710633

SCHEMBL9710633

CCOC(=O)c1ncn2c1C(C)(C)Nc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.47
GABRB3 P28472 10/20 0.47
GABRA5 P31644 10/20 0.47
GABRA2 P47869 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL9376712 0.84 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL29652624 0.84 MEN1 (0.39) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL2232627 0.78 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL8558986 0.72 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL16935799 0.69 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL7327996 0.69 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL17651945 0.68 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL9260791 0.68 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL4963197 0.68 TP53 (0.58) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL2236417 0.68 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA2GABRA1

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
WO-1992022552-A1 IMIDAZO[1,5-a]QUINOXALINES THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed