SCHEMBL31384678

SCHEMBL31384678

CCOC(=O)CC(=O)N(C)C1=C(C(=O)OC)CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SLC6A3 Q01959 4/20 0.35
▸ NLRP3 Q96P20 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 2/20 0.32

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
SCHEMBL29284702 0.78 GAA (0.37) GAAMGAMSIMGAM2MAPT
SCHEMBL20545298 0.77 MAPT (0.42) GAAMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL29284712 0.77 GAA (0.36) ACHEGAAMGAMSIMGAM2
SCHEMBL29070863 0.75 ACHE (0.44) ACHEGAAMGAMSIMGAM2
SCHEMBL29284699 0.70 GAA (0.38) GAAMGAMSIMGAM2MAPT
SCHEMBL8636289 0.68 SLC6A3 (0.53) ACHESLC6A3SLC6A2NPSR1
SCHEMBL28283233 0.66 KDM4E (0.55) GAAMGAMSIMGAM2MAPT
SCHEMBL17702649 0.66 KMT2A (0.51) GAATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13469340 0.66 SLC6A3 (0.45) ACHESMN1; SMN2SLC6A3SLC6A2
SCHEMBL4723143 0.65 MEN1 (0.46) GAAMGAMSIMGAM2MAPT

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
WO-2025045145-A1 WRN HELICASE-INHIBITING BIS-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 广州科恩泰生物医药科技有限公司 2025-03-06 — — WO disclosed
CN-119528909-A Bisheterocyclic derivative for inhibiting WRN helicase, pharmaceutical composition containing bisheterocyclic derivative and application of bisheterocyclic derivative 上海科恩泰生物医药科技有限公司 2025-02-28 — — CN disclosed
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