SCHEMBL24832744

SCHEMBL24832744

CNc1ccc2c(CC(N)=O)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A1 P54219 1/20 0.67
▸ SLC18A2 Q05940 1/20 0.67
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ LCK P06239 2/20 0.50
▸ FYN P06241 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ GRB2 P62993 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ CA9 Q16790 2/20 0.48

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
SCHEMBL19398068 0.88 LCK (0.66) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL14527910 0.88 SLC18A1 (0.65) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL13589339 0.87 CA12 (0.64) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL12948892 0.81 SLC18A1 (0.57) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL29360977 0.81 SLC18A1 (1.00) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL14669803 0.80 SLC18A1 (0.70) SLC18A1SLC18A2KDM4EALDH1A1GLA
SCHEMBL180110 0.80 LCK (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31415321 0.80 LCK (0.55) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL723839 0.80 LCK (0.76) KDM4EALDH1A1GLAGAACA12
SCHEMBL13589337 0.80 KDM4E (0.55) SLC18A1SLC18A2KDM4EALDH1A1GLA

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
WO-2024146906-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2024-07-11 — — WO disclosed
EP-4397674-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2024-07-10 — — EP disclosed
WO-2023275357-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-05 — — WO disclosed
EP-4112631-A1 CASPASE-2 INHIBITOR COMPOUNDS Kintsugi Therapeutics S.L. (ES) 2023-01-04 — — EP disclosed
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