SCHEMBL30179902

SCHEMBL30179902

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
TLR9 Q9NR96 1/20 0.44
ALK Q9UM73 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
SUV39H2 Q9H5I1 3/20 0.43
GPR119 Q8TDV5 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
ABCB1 P08183 1/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL24847590 1.00 BACE1 (0.45) BACE1TLR9ALKMAPTLMNA
SCHEMBL26071980 0.87 LMNA (0.46) BACE1MAPTLMNAALDH1A1HPGD
SCHEMBL30180025 0.86 LMNA (0.49) BACE1TLR9ALKMAPTLMNA
SCHEMBL24847131 0.86 LMNA (0.49) BACE1TLR9ALKMAPTLMNA
SCHEMBL30965619 0.85 SMARCA2 (0.47) BACE1TLR9ALKMAPTLMNA
SCHEMBL21833197 0.85 LMNA (0.46) BACE1MAPTLMNAALDH1A1HPGD
SCHEMBL14852278 0.82 BACE1 (0.55) BACE1TLR9MAPTLMNAALDH1A1
SCHEMBL31487397 0.81 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2KCNH2
SCHEMBL30965662 0.81 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2KCNH2
SCHEMBL24187350 0.81 GPR119 (0.43) BACE1MAPTLMNAALDH1A1GPR119

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