SCHEMBL29361349

SCHEMBL29361349

CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(S(C)(=O)=O)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.34
▸ NR1H3 Q13133 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.31
▸ BUB1 O43683 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ RXRA P19793 3/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL25028823 1.00 NR1H2 (0.34) NR1H2NR1H3L3MBTL1BRD4CREBBP
SCHEMBL29361265 0.86 L3MBTL1 (0.37) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL17179245 0.86 L3MBTL1 (0.37) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL12005659 0.85 USP30 (0.35) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL23330822 0.85 JAK2 (0.41) L3MBTL1BRD4CREBBPUSP30GPR119
SCHEMBL25593260 0.85 L3MBTL1 (0.34) NR1H2L3MBTL1BRD4CREBBPUSP30
SCHEMBL23104306 0.84 CNR2 (0.34) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL25028988 0.84 L3MBTL1 (0.34) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL29363530 0.84 L3MBTL1 (0.34) L3MBTL1BRD4CREBBPUSP30BUB1
SCHEMBL25028610 0.82 L3MBTL1 (0.33) L3MBTL1BRD4CREBBPUSP30GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
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