SCHEMBL29279142

SCHEMBL29279142

CC(C)(C)OC(=O)NC1CCNOc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
AAK1 Q2M2I8 3/20 0.38
SIRT2 Q8IXJ6 3/20 0.37
SIRT1 Q96EB6 2/20 0.37
EPHX2 P34913 1/20 0.37
IDO1 P14902 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
BACE1 P56817 3/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL27167804 0.83 AAK1 (0.40) GAAAAK1SIRT2SIRT1ALDH1A1
SCHEMBL16814170 0.83 AAK1 (0.41) GAAAAK1SIRT2SIRT1
SCHEMBL29279177 0.81 PRMT5 (0.42) GAAAAK1SIRT2SIRT1EPHX2
SCHEMBL16814171 0.81 EPHX2 (0.41) GAAAAK1EPHX2KDM1AMAOB
SCHEMBL21179064 0.80 GAA (0.44) GAAAAK1SIRT2SIRT1EPHX2
SCHEMBL31704461 0.80 GAA (0.44) GAAAAK1SIRT2SIRT1EPHX2
SCHEMBL21178544 0.80 GAA (0.44) GAAAAK1SIRT2SIRT1EPHX2
SCHEMBL21178364 0.76 TRPV1 (0.46) GAAAAK1EPHX2BACE1NPC1
SCHEMBL8180722 0.76 TRPV1 (0.46) GAAAAK1EPHX2BACE1NPC1
SCHEMBL31055885 0.76 TRPV1 (0.46) GAAAAK1EPHX2BACE1NPC1

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-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed