SCHEMBL28565197

SCHEMBL28565197

O=C1Nc2ccccc2C12CC=CO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PDK2 Q15119 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ BACE1 P56817 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL1520018 0.80 ALDH1A1 (0.61) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL28375510 0.70 MEN1 (0.61) LMNAALDH1A1POLBMEN1KMT2A
Fluoride SCHEMBL28908418 0.70 MEN1 (0.61) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1520522 0.70 ALDH1A1 (0.49) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL30162800 0.69 BACE1 (0.59) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL29976879 0.69 MEN1 (0.64) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL20323150 0.69 ALDH1A1 (0.44) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL28562087 0.68 ALDH1A1 (0.43) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1520717 0.68 ALDH1A1 (0.43) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL29152496 0.68 HDAC4 (0.35) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447483-A Indole oxide spiro dihydrofuran skeleton and preparation method thereof 青岛农业大学 2024-01-26 — — CN claimed
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 — — CN claimed
CN-117447483-A Indole oxide spiro dihydrofuran skeleton and preparation method thereof 青岛农业大学 2024-01-26 — — CN disclosed
CN-117447483-A Indole oxide spiro dihydrofuran skeleton and preparation method thereof 青岛农业大学 2024-01-26 — — CN disclosed
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 — — CN disclosed
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 — — CN disclosed
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 — — CN disclosed
CN-109096298-B Asymmetric synthesis method of chiral benzofuran spiro-oxoindole compound 浙江工业大学 2021-04-06 — — CN disclosed
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