SCHEMBL29209099

SCHEMBL29209099

CC(C)(C)C(=O)N1CCOc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30336438 1.00 LMNA (0.46) LMNANOTUMPIK3CDPIK3CAPIK3CB
SCHEMBL5270784 0.84 NOTUM (0.63) LMNANOTUMMAPTTHRBMEN1
SCHEMBL29209024 0.83 LMNA (0.51) LMNANOTUMPIK3CDPIK3CAPIK3CB
SCHEMBL30336534 0.83 LMNA (0.51) LMNANOTUMPIK3CDPIK3CAPIK3CB
SCHEMBL5276056 0.83 USP30 (0.50) LMNANOTUMPIK3CDPIK3CAPIK3CB
SCHEMBL16042116 0.82 NOTUM (0.43) NOTUMUSP30MAPTPOLBDGAT1
SCHEMBL13524326 0.80 NOTUM (0.69) LMNANOTUMSLC22A12MAPTPOLB
SCHEMBL4824285 0.76 NAAA (0.49) LMNANOTUMMAPTHTTRAB9A
SCHEMBL31472162 0.76 TP53 (0.44) LMNANOTUMMAPTHTTRAB9A
SCHEMBL304544 0.75 PDK1 (0.43) LMNANOTUMPIK3CDPIK3CAPIK3CB

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-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 — — CN disclosed
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