SCHEMBL29705392

SCHEMBL29705392

Cn1c(=O)n(C(=O)OC(C)(C)C)c2ncc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.58
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
PDE4B Q07343 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
USP30 Q70CQ3 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
GABRA3 P34903 1/20 0.33
GABRB2 P47870 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL27215192 1.00 HSD17B10 (0.58) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL2117880 0.90 HSD17B10 (0.47) HSD17B10GABRG2GABRB3GABRA5GABRA1
SCHEMBL29705389 0.86 HSD17B10 (0.39) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL27215287 0.86 HSD17B10 (0.39) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL15999448 0.83 HSD17B10 (0.60) HSD17B10HPGDHTTPDE4BLMNA
SCHEMBL17471778 0.83 ALDH1A1 (0.42) HSD17B10HTTGABRG2GABRB3GABRA5
SCHEMBL16002440 0.83 ALDH1A1 (0.42) HSD17B10HTTGABRG2GABRB3GABRA5
SCHEMBL5418830 0.77 CCNB2 (0.44) HSD17B10HPGDGABRG2GABRB3GABRA5
SCHEMBL31710152 0.77 LMNA (0.48) HSD17B10HPGDGABRG2GABRB3GABRA5
SCHEMBL29705273 0.77 USP30 (0.42) HSD17B10HPGDHTTGABRG2GABRB3

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed