SCHEMBL29324311

SCHEMBL29324311

CCOC(=O)c1cnn2ccc(N3CC4CCC(C3)O4)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
SMPD3 Q9NY59 7/20 0.40
IRAK4 Q9NWZ3 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT3 P36888 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL21998017 1.00 TGFBR1 (0.42) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL23807777 0.97 SMPD3 (0.44) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL21997994 0.96 TGFBR1 (0.44) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL23807919 0.96 TGFBR1 (0.44) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL21998006 0.88 ALDH1A1 (0.52) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL23744414 0.88 ALDH1A1 (0.52) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL21998070 0.88 ALDH1A1 (0.52) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL21997871 0.88 ALDH1A1 (0.52) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL25968662 0.88 ALDH1A1 (0.52) TGFBR1SMPD3IRAK4KDM4EHSD17B10
SCHEMBL21998201 0.87 IRAK4 (0.48) TGFBR1SMPD3IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894895-A IRAK4 degradation agent and application thereof 领泰生物医药(绍兴)有限公司 2025-04-25 CN disclosed
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed