SCHEMBL31457968

SCHEMBL31457968

[2H]C([2H])(Br)C1CC=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.36
CTSK P43235 1/20 0.33
ATM Q13315 2/20 0.33
NR1H2 P55055 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL31457995 0.87 PREP (0.37) PREPCTSKATMNR1H2CHRM2
SCHEMBL609920 0.84 NR1H2 (0.41) PREPCTSKATMNR1H2CHRM2
SCHEMBL31457946 0.82 PREP (0.38) PREPCTSKATMNR1H2CHRM2
SCHEMBL5649423 0.81 PREP (0.37) PREPCTSKATMNR1H2CHRM2
SCHEMBL6428895 0.77 SRC (0.39) PREPCTSKATMMEN1KMT2A
SCHEMBL24909669 0.76 ALDH1A1 (0.34) PREPCTSKATMMEN1KMT2A
SCHEMBL30477339 0.75 PREP (0.41) PREPCTSKNR1H2CHRM2CHRM1
SCHEMBL26765821 0.75 PREP (0.41) PREPCTSKNR1H2CHRM2CHRM1
SCHEMBL28202604 0.74 CHRM2 (0.42) PREPCTSKNR1H2CHRM2CHRM1
SCHEMBL31048380 0.73 ATM (0.41) CTSKATMNR1H2MEN1KMT2A

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-119731179-A IKZF2 degradation agent and application thereof 密歇根大学董事会 2025-03-28 CN disclosed