SCHEMBL29993428

SCHEMBL29993428

COC(=O)C(C(=O)OC(C)(C)C)c1ncc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
AAK1 Q2M2I8 4/20 0.38
ALDH1A1 P00352 1/20 0.35
S1PR3 Q99500 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.34
FPR2 P25090 2/20 0.33
BDKRB1 P46663 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
USP30 Q70CQ3 1/20 0.32
IDH1 O75874 2/20 0.32
SCN9A Q15858 1/20 0.32
APP P05067 1/20 0.32
P2RX3 P56373 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1257077 1.00 MAPK1 (0.45) MAPK1AAK1ALDH1A1S1PR3LMNA
SCHEMBL16522670 0.90 KMT2A (0.40) MAPK1AAK1ALDH1A1S1PR3LMNA
SCHEMBL30979514 0.90 KMT2A (0.40) MAPK1AAK1ALDH1A1S1PR3LMNA
SCHEMBL23730750 0.85 MAPK1 (0.45) MAPK1ALDH1A1S1PR3LMNAKMT2A
SCHEMBL31147933 0.84 MAPK1 (0.44) MAPK1ALDH1A1S1PR3KMT2AACACB
SCHEMBL1255170 0.84 MAPK1 (0.43) MAPK1ALDH1A1S1PR3ACACBIDH1
SCHEMBL15912513 0.80 MEN1 (0.43) MAPK1ALDH1A1S1PR3KMT2AACACB
SCHEMBL4206631 0.78 LMNA (0.39) MAPK1AAK1ALDH1A1LMNAKMT2A
SCHEMBL3544099 0.77 LMNA (0.37) MAPK1S1PR3LMNAKMT2AFPR2
SCHEMBL2949119 0.77 AAK1 (0.49) AAK1S1PR3KMT2AACACBBDKRB1

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-115335374-A GLP-1R modulating compounds 吉利德科学公司 2022-11-11 CN disclosed