SCHEMBL28965083

SCHEMBL28965083

C#CCC1CN(C(=O)OC(C)(C)C)CCN1CC#C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 1/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.37
EPHX2 P34913 1/20 0.36
CTSK P43235 1/20 0.35
EPHX1 P07099 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL5552498 0.85 MEN1 (0.45) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL29132204 0.85 MEN1 (0.45) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL21722177 0.83 MEN1 (0.46) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL113614 0.76 USP2 (0.54) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL31752290 0.76 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL1904787 0.76 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL31753756 0.76 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL15295758 0.75 NR1H2 (0.54) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL28720772 0.74 NR1H2 (0.43) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL28320681 0.74 NR1H2 (0.43) MEN1ALDH1A1MAPTKMT2ANR1H2

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-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed