SCHEMBL26119201

SCHEMBL26119201

O=C(O)N1CCN(C(=O)c2ccc(Br)c3cc[nH]c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ BTK Q06187 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ L3MBTL3 Q96JM7 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MBTD1 Q05BQ5 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL26115162 0.81 POLB (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL26683753 0.81 DRD2 (0.47) ALDH1A1LMNAGAAMAPTKIT
SCHEMBL2382490 0.77 KEAP1 (0.49) GAAMAPTBTKGFERHTT
SCHEMBL30456361 0.77 KEAP1 (0.49) GAAMAPTBTKGFERHTT
SCHEMBL9984063 0.72 BTK (0.55) BTKERN1
SCHEMBL20142178 0.69 KEAP1 (0.36) MAPK14ALDH1A1LMNAGAAMAPT
SCHEMBL31663261 0.69 BTK (0.39) GAABTKKMT2A
SCHEMBL12566368 0.69 TTBK1 (0.47) ALDH1A1LMNAGAAMAPTL3MBTL1
SCHEMBL29556631 0.65 AHR (0.48) KMT2ADRD2DRD4DRD3
SCHEMBL2124264 0.65 AHR (0.48) KMT2ADRD2DRD4DRD3

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-2023180388-A1 2,4-DIOXOTETRAHYDROPYRIMIDINYL DERIVATIVES AS DEGRONS IN PROTACS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-09-28 — — WO disclosed
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