SCHEMBL29220941

SCHEMBL29220941

CNC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.46
▸ DDB1 Q16531 1/20 0.45
▸ CRBN Q96SW2 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ SLC34A1 Q06495 1/20 0.39

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
SCHEMBL29220928 0.92 USP30 (0.43) USP30DDB1CRBNKMT2ASMN1; SMN2
SCHEMBL25093627 0.88 DDB1 (0.58) USP30DDB1CRBNKMT2ASMN1; SMN2
SCHEMBL21063452 0.87 GPR119 (0.52) USP30DDB1CRBNKMT2ASMN1; SMN2
SCHEMBL29220893 0.86 USP30 (0.49) USP30DDB1CRBNKMT2ASMN1; SMN2
Lithium Ion SCHEMBL21063388 0.84 DDB1 (0.44) USP30DDB1CRBNKMT2ASMN1; SMN2
SCHEMBL25093965 0.84 PARP1 (0.48) USP30KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL31178523 0.84 PARP1 (0.48) USP30KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL30394540 0.83 DDB1 (0.46) DDB1CRBNKMT2AMEN1MAPT
SCHEMBL255458 0.83 DDB1 (0.46) DDB1CRBNKMT2AMEN1MAPT
SCHEMBL25215675 0.81 USP30 (0.49) USP30DDB1CRBNKMT2ASMN1; 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
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 — — CN disclosed
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