SCHEMBL28375510

SCHEMBL28375510

O=C1Nc2ccccc2C12CCCO2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.49
▸ PDK2 Q15119 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PDE7A Q13946 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 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
Fluoride SCHEMBL28908418 1.00 MEN1 (0.61) MEN1KMT2APOLBGAAMAPK1
SCHEMBL29976879 0.95 MEN1 (0.64) MEN1KMT2APOLBGAAMAPK1
SCHEMBL1520018 0.80 ALDH1A1 (0.61) MEN1KMT2APOLBGAAMAPK1
SCHEMBL13273820 0.78 PIK3CD (0.43) MEN1KMT2APOLBGAAMAPK1
SCHEMBL29963500 0.76 GAA (1.00) MEN1KMT2APOLBGAAMAPK1
SCHEMBL2762197 0.76 GAA (1.00) MEN1KMT2APOLBGAAMAPK1
SCHEMBL20473696 0.74 KMT2A (0.40) MEN1KMT2APOLBGAAMAPK1
SCHEMBL20473692 0.74 ALDH1A1 (0.50) MEN1KMT2APOLBGAAMAPK1
SCHEMBL17202882 0.72 POLB (0.41) MEN1KMT2APOLBGAAMAPK1
SCHEMBL9053384 0.72 KMT2A (0.86) MEN1KMT2APOLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478558-A Enantiomer-pure tetrahydrofuran spiro-oxoindole derivative and preparation method and application thereof 郑州大学 2022-05-13 — — CN claimed
CN-108373473-B Oxidized indole spiro tetrahydrofuran fluoride and crystal thereof, and preparation method and application thereof 成都大学 2021-03-12 — — CN claimed
CN-108084201-B Oxoindolspirotetrahydrofuran skeleton material, crystal thereof and preparation method thereof 成都大学 2020-07-31 — — CN claimed
CN-108033969-B Oxoindolspirotetrahydrofuran compound and preparation method and application thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-10 — — CN claimed
CN-115340495-A O-nitrobenzene compound and preparation method and application thereof 华东理工大学 2022-11-15 — — CN disclosed
CN-114478558-A Enantiomer-pure tetrahydrofuran spiro-oxoindole derivative and preparation method and application thereof 郑州大学 2022-05-13 — — CN disclosed
CN-108373473-B Oxidized indole spiro tetrahydrofuran fluoride and crystal thereof, and preparation method and application thereof 成都大学 2021-03-12 — — CN disclosed
CN-108084201-B Oxoindolspirotetrahydrofuran skeleton material, crystal thereof and preparation method thereof 成都大学 2020-07-31 — — CN disclosed
CN-108084201-B Oxoindolspirotetrahydrofuran skeleton material, crystal thereof and preparation method thereof 成都大学 2020-07-31 — — CN disclosed
CN-108033969-B Oxoindolspirotetrahydrofuran compound and preparation method and application thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-10 — — CN disclosed
CN-108033969-B Oxoindolspirotetrahydrofuran compound and preparation method and application thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-10 — — CN disclosed
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