SCHEMBL5179874

SCHEMBL5179874

CN(C)C1=CC(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ MAOA P21397 4/20 0.35
▸ MAOB P27338 4/20 0.35
▸ ACHE P22303 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL11299234 0.87 ERBB2 (0.33) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL12305062 0.75 ERBB2 (0.34) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL28562469 0.73 ACHE (0.38) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL8958289 0.71 MALT1 (0.50) ALDH1A1MALT1MAOAMAOBHSD17B10
SCHEMBL28247119 0.71 ACHE (0.44) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL28549550 0.70 ACHE (0.40) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL17751344 0.67 EEF2K (0.43) ALDH1A1RECQLMEN1MAPTKMT2A
Trimethylammonium SCHEMBL27729208 0.67 ERBB2 (0.39) ERBB2TDP1ALDH1A1RECQLMEN1
Benzoquinone SCHEMBL27338619 0.66 TDP1 (0.67) ERBB2TDP1ALDH1A1RECQLMEN1
SCHEMBL16921972 0.64 MALT1 (0.35) MEN1MAPTKMT2AMALT1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 — — CN claimed
EP-3717457-A1 PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE Aarti Industries Limited (IN) 2020-10-07 — — EP claimed
EP-0460996-B1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative OREAL (FR) 1994-09-14 — — EP claimed
US-5180400-A METHOD FOR DYEING KERATINOUS FIBRES USING AN AMINOINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE L'OREAL (FR) 1993-01-19 — — US claimed
EP-0460996-A1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative L'OREAL (FR) 1991-12-11 — — EP claimed
EP-0376776-A2 Process for dyeing keratinous fibres with hydroxyindole associated with quinone and 1,4-benzoquinone L'OREAL (FR) 1990-07-04 — — EP claimed
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 — — CN disclosed
EP-4153553-B1 PHOTOOXIDATION OF 2,3,5-TRIMETHYLPHENOL DSM IP ASSETS BV (NL) 2024-01-31 — — EP disclosed
EP-4153555-B1 PHOTOOXIDATION OF PHENOLIC COMPOUNDS DSM IP ASSETS BV (NL) 2024-01-31 — — EP disclosed
EP-4153554-B1 PHOTOOXIDATION OF 2,3,6-TRIMETHYLPHENOL DSM IP ASSETS BV (NL) 2024-01-31 — — EP disclosed
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 — — CN disclosed
EP-3717457-B1 PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE AARTI INDUSTRIES LTD (IN) 2023-06-21 — — EP disclosed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 — — CN disclosed
EP-0603322-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES. OREAL (FR) 1994-06-29 — — EP disclosed
WO-1993005018-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES L'OREAL (FR) 1993-03-18 — — WO disclosed
US-5180400-A METHOD FOR DYEING KERATINOUS FIBRES USING AN AMINOINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE L'OREAL (FR) 1993-01-19 — — US disclosed
EP-0376776-B1 PROCESS FOR DYEING KERATINOUS FIBRES WITH HYDROXYINDOLE ASSOCIATED WITH QUINONE AND 1,4-BENZOQUINONE L'OREAL (FR) 1992-09-23 — — EP disclosed
EP-0460996-A1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative L'OREAL (FR) 1991-12-11 — — EP disclosed
US-5053053-A PROCESS FOR DYEING KERATINOUS FIBRES WITH A HYDROXYINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE; AND NOVEL 1,4-BENZOQUINONES L'OREAL (FR) 1991-10-01 — — US disclosed
EP-0376776-A2 Process for dyeing keratinous fibres with hydroxyindole associated with quinone and 1,4-benzoquinone L'OREAL (FR) 1990-07-04 — — EP disclosed
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