SCHEMBL3005504

SCHEMBL3005504

CN1C(=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.62
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP7 P55210 1/20 0.56
CASP9 P55211 1/20 0.56
CASP6 P55212 1/20 0.56
CUL4A Q13619 1/20 0.55
CES1 P23141 2/20 0.55
TTR P02766 1/20 0.55
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.53
ALDH2 P05091 2/20 0.53
ALDH3A1 P30838 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PIM1 P11309 1/20 0.50
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
S100A4 P26447 1/20 0.47
GABRA1 P14867 1/20 0.46

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
SCHEMBL30704873 1.00 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL753100 0.85 CES1 (0.55) CASP3CASP1CASP4CASP7CASP9
SCHEMBL29704375 0.85 CES1 (0.55) CASP3CASP1CASP4CASP7CASP9
SCHEMBL18699211 0.85 PIM1 (0.61) CASP3CUL4ACES1TTRACHE
SCHEMBL31419918 0.81 CASP3 (0.62) CASP3CASP1CASP4CASP7CASP9
SCHEMBL9029012 0.78 CASP3 (0.65) CASP3CASP1CASP4CASP7CASP9
SCHEMBL29403414 0.78 CASP3 (0.65) CASP3CASP1CASP4CASP7CASP9
SCHEMBL15145704 0.78 ACHE (0.56) CUL4ACES1ACHEALDH1A1ALDH2
SCHEMBL21001752 0.78 ALDH1A1 (0.65) CUL4ACES1ACHEALDH1A1ALDH2
SCHEMBL6324792 0.78 CA1 (0.56) CASP3CUL4ACES1TTRALDH1A1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 CN claimed
CN-109384769-A A kind of synthetic method of R configuration 3- substitution -3- hydroxyl oxidized indole compounds 陕西师范大学 2019-02-26 CN claimed
CN-101503404-A Preparation of 3-substituted-3-hydroxy-indole-2-ketone bis-heterocyclic derivative UNIV EAST CHINA NORMAL (CN) 2009-08-12 CN claimed
CN-118878450-A C3-trifluoropropionyl oxydation reaction of N-substituted indole 湖南科技职业学院 2024-11-01 CN disclosed
CN-118406000-A Process for preparing 3-aminoindol-2-one derivatives 南昌大学 2024-07-30 CN disclosed
CN-111423351-B Chiral copper compound and preparation method and application thereof 中国科学技术大学 2024-03-29 CN disclosed
CN-113943309-B Indolospiro [ benzofuran-2, 2' -pyrrolidine ] compound, preparation method thereof and application thereof in preventing and treating plant viruses 江苏大学 2023-11-10 CN disclosed
EP-3728232-B1 NOVEL QUINOLONE COMPOUNDS AS INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND/OR AS BCL6 DEGRADERS ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-08-30 EP disclosed
EP-3728232-B1 NOVEL QUINOLONE COMPOUNDS AS INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND/OR AS BCL6 DEGRADERS ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-08-30 EP disclosed
CN-111433195-B Pyridone derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
CN-112898311-B Indole spiro pyridocoumarin compound and preparation method and application thereof 江苏大学 2022-06-21 CN disclosed
WO-2010053606-A2 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-05-14 WO disclosed
CN-101503404-A Preparation of 3-substituted-3-hydroxy-indole-2-ketone bis-heterocyclic derivative UNIV EAST CHINA NORMAL (CN) 2009-08-12 CN disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 WO disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US disclosed
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 US disclosed
US-5164404-A HYDRAZONE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 1992-11-17 US disclosed
EP-0503349-A1 Hydrazone derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-09-16 EP disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP disclosed