SCHEMBL29220928

SCHEMBL29220928

CNC(=O)c1ccc(C2CN(C3CN(C(=O)OC(C)(C)C)C3)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ FPR2 P25090 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
SCHEMBL29220941 0.92 USP30 (0.46) USP30DDB1CRBNMEN1MAPT
SCHEMBL29220893 0.92 USP30 (0.49) USP30DDB1CRBNMEN1MAPT
SCHEMBL25093627 0.84 DDB1 (0.58) USP30DDB1CRBNMEN1MAPT
SCHEMBL21063452 0.80 GPR119 (0.52) USP30DDB1CRBNMEN1MAPT
SCHEMBL25738320 0.80 PARP1 (0.47) USP30MEN1MAPTTSHRKMT2A
SCHEMBL31048020 0.80 MEN1 (0.45) USP30MEN1MAPTTSHRKMT2A
SCHEMBL31178523 0.79 PARP1 (0.48) USP30MEN1MAPTTSHRKMT2A
SCHEMBL25093965 0.79 PARP1 (0.48) USP30MEN1MAPTTSHRKMT2A
Lithium Ion SCHEMBL21063388 0.78 DDB1 (0.44) USP30DDB1CRBNKMT2ASMN1; SMN2
SCHEMBL25215675 0.77 USP30 (0.49) USP30DDB1CRBNMEN1MAPT

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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