SCHEMBL29632731

SCHEMBL29632731

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Br)nc(Br)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HDAC4 P56524 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ ACACB O00763 5/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CRBN Q96SW2 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3294559 0.85 MEN1 (0.54) MEN1KMT2AHDAC4POLBLMNA
SCHEMBL26604111 0.84 MAPT (0.54) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL29632726 0.80 TBK1 (0.46) KCNH2
SCHEMBL3297334 0.80 KMT2A (0.57) MEN1KMT2AHDAC4POLBKCNH2
SCHEMBL15229234 0.80 L3MBTL4 (0.53) MEN1KMT2AHDAC4POLBLMNA
SCHEMBL12171721 0.80 MEN1 (0.51) MEN1KMT2AHDAC4POLBACACB
SCHEMBL13872072 0.79 MEN1 (0.57) MEN1KMT2AHDAC4POLBACACB
SCHEMBL2928630 0.79 KMT2A (0.68) MEN1KMT2AHDAC4POLBKCNH2
SCHEMBL27097509 0.79 MEN1 (0.50) MEN1KMT2AHDAC4POLBLMNA
SCHEMBL23085963 0.78 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2

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-2022086284-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2022-04-28 — — WO disclosed
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