SCHEMBL30180025

SCHEMBL30180025

COc1cc(Br)c(C)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMPD3 Q9NY59 2/20 0.46
TLR9 Q9NR96 1/20 0.44
TP53 P04637 1/20 0.44
BACE1 P56817 2/20 0.44
SUV39H2 Q9H5I1 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ABCB1 P08183 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ALK Q9UM73 2/20 0.41

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
SCHEMBL24847131 1.00 LMNA (0.49) LMNASMPD3TLR9TP53BACE1
SCHEMBL30179902 0.86 BACE1 (0.45) LMNASMPD3TLR9BACE1SUV39H2
SCHEMBL24847590 0.86 BACE1 (0.45) LMNASMPD3TLR9BACE1SUV39H2
SCHEMBL20139012 0.81 LMNA (0.48) LMNATP53ALDH1A1MAPT
SCHEMBL14852278 0.81 BACE1 (0.55) LMNASMPD3TLR9TP53BACE1
SCHEMBL29886110 0.81 SUV39H2 (0.50) LMNASMPD3TLR9SUV39H2ALDH1A1
SCHEMBL23216662 0.81 SUV39H2 (0.50) LMNASMPD3TLR9SUV39H2ALDH1A1
SCHEMBL17310135 0.79 GPR119 (0.48) LMNASMPD3TLR9TP53BACE1
SCHEMBL2365831 0.78 LMNA (0.50) LMNAALDH1A1MAPTGPR119SMARCA2
SCHEMBL28704626 0.78 LMNA (0.50) LMNATP53BACE1ALDH1A1MAPT

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-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed