SCHEMBL28901899

SCHEMBL28901899

CC(C)(C)OC(=O)c1cnc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.43
GABRB3 P28472 13/20 0.43
GABRA1 P14867 12/20 0.43
GABRA2 P47869 12/20 0.43
GABRA5 P31644 12/20 0.43
GABRA3 P34903 11/20 0.43
GABRA6 Q16445 10/20 0.43
GABRA4 P48169 5/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRE P78334 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
HPGDS O60760 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1019178 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29208228 0.80 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29700722 0.80 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL988761 0.80 POLB (0.54) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2134366 0.79 MAPK1 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL30271936 0.79 MAPK1 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL31515460 0.79 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645097 0.79 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2646157 0.79 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645705 0.79 GABRG2 (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5

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-115087658-A Sulfonamide or sulfenamide compounds having BRD 4-inducing proteolytic activity, and pharmaceutical use thereof 田边三菱制药株式会社 2022-09-20 CN disclosed