SCHEMBL25980452

SCHEMBL25980452

C#CC1CN(C(=O)OC(C)(C)C)c2cccc(Br)c2O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.41
KDM1A O60341 1/20 0.36
NR1H2 P55055 8/20 0.36
NR1H3 Q13133 6/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
BCHE P06276 1/20 0.34
USP30 Q70CQ3 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL30479623 1.00 UCHL1 (0.41) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL30479612 0.89 UCHL1 (0.41) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL25980402 0.89 UCHL1 (0.41) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL25980404 0.83 UCHL1 (0.43) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL25344511 0.82 SIRT2 (0.33) USP30
SCHEMBL3205346 0.81 UCHL1 (0.44) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL30479638 0.81 UCHL1 (0.42) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL25980444 0.81 UCHL1 (0.42) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL30479646 0.81 UCHL1 (0.44) UCHL1KDM1ANR1H2NR1H3HDAC1
SCHEMBL3203157 0.78 TDP1 (0.40) UCHL1KDM1ANR1H2NR1H3HDAC1

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-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed