SCHEMBL30954245

SCHEMBL30954245

CC(C)(C)OC(=O)NC1COc2cccc(C=O)c21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ EPHX2 P34913 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ BTK Q06187 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.34

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
SCHEMBL30954250 0.89 GAA (0.45) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL30954237 0.84 GAA (0.47) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL21178405 0.80 GAA (0.42) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL30799332 0.79 GAA (0.52) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL21284828 0.75 GAA (0.45) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL31730377 0.74 GAA (0.44) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL21178544 0.74 GAA (0.44) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL31704461 0.74 GAA (0.44) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL31704678 0.74 GAA (0.44) GAAEPHX2KMT2AL3MBTL1KDM1A
SCHEMBL21179064 0.74 GAA (0.44) GAAEPHX2KMT2AL3MBTL1KDM1A

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-4624473-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2025-10-01 — — EP disclosed
WO-2024120457-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2024-06-13 — — WO disclosed
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