SCHEMBL28337580

SCHEMBL28337580

Cn1c(=O)cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ MAPT P10636 6/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PKM P14618 2/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL15712185 0.77 ALDH1A1 (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL211698 0.76 L3MBTL1 (0.61) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL30868890 0.76 FGFR1 (0.46) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL19200298 0.76 FGFR1 (0.46) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL588563 0.75 RAB9A (0.62) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL28454121 0.75 ALDH1A1 (0.54) ALDH1A1MAPTHPGDPKMKMT2A
SCHEMBL30231201 0.74 ALOX5 (0.43) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL22655273 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL28521583 0.74 HPGD (0.46) ALDH1A1MAPTHPGDKMT2ACYP2D6
SCHEMBL30231132 0.74 HPGD (0.46) ALDH1A1MAPTHPGDKMT2ACYP2D6

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-116120246-B 3-Butyl-2 (1H) quinoxalinone compound and preparation method thereof 常州大学 2024-11-19 — — CN disclosed
CN-114524773-B Synthesis method of aryl quinoxaline compound promoted by mechanical force 浙江工业大学 2024-05-28 — — CN disclosed
CN-116120246-A 3-butyl-2 (1H) quinoxalinone compound and preparation method thereof 常州大学 2023-05-16 — — CN disclosed
CN-114524773-A Method for synthesizing aryl quinoxaline compound promoted by mechanical force 浙江工业大学 2022-05-24 — — CN disclosed
CN-111041515-B Method for synthesizing 3-alkylthio substituted quinoxalinone derivative under electrocatalysis 浙江工业大学 2021-03-16 — — CN disclosed
CN-109988117-B Preparation method of 3-methylquinoxaline-2 (1H) -ketone derivatives 湖南科技学院 2020-09-29 — — CN disclosed
CN-111041515-A Method for synthesizing 3-alkylthio substituted quinoxalinone derivative under electrocatalysis 浙江工业大学 2020-04-21 — — CN disclosed
CN-110590684-A Synthetic method of 3-alkylthio substituted quinoxalinone derivative 浙江工业大学 2019-12-20 — — CN disclosed
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