SCHEMBL28970109

SCHEMBL28970109

CC(C)(C)OC(=O)n1cc2cccc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
BCHE P06276 1/20 0.36
BACE1 P56817 1/20 0.36
NR1H2 P55055 4/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM1A O60341 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL5184141 0.81 BCHE (0.47) BCHENR1H2KMT2AMEN1L3MBTL1
SCHEMBL29168570 0.80 BCHE (0.35) BCHEBACE1NR1H2KMT2AMEN1
SCHEMBL2144869 0.73 USP30 (0.40) BCHEBACE1NR1H2NPC1RAB9A
SCHEMBL8288797 0.72 BCHE (0.38) BCHENR1H2KMT2AMEN1HTT
SCHEMBL20572028 0.72 AAK1 (0.38) BCHEKMT2AMEN1PIK3R1PIK3CA
SCHEMBL17631624 0.71 HDAC8 (0.39) UCHL1BCHEBACE1NR1H2KMT2A
SCHEMBL1284244 0.71 L3MBTL1 (0.44) UCHL1BCHENR1H2KMT2AMEN1
SCHEMBL29496262 0.71 POLB (0.43) BCHEKMT2AMEN1HTTGPR119
SCHEMBL29507058 0.71 L3MBTL1 (0.44) UCHL1BCHENR1H2KMT2AMEN1
SCHEMBL1314041 0.71 ACLY (0.47) UCHL1BCHEBACE1NR1H2KMT2A

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-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed