SCHEMBL28555697

SCHEMBL28555697

Cn1c(=O)cnc2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 7/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 5/20 0.36
USP2 O75604 4/20 0.36

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
SCHEMBL30231201 1.00 ALOX5 (0.43) ALOX5MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL19231294 0.86 CYP11B1 (0.44) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL30868890 0.81 FGFR1 (0.46) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL19200298 0.81 FGFR1 (0.46) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL28521583 0.79 HPGD (0.46) KMT2AHCRTR1ALDH1A1HPGDHSD17B10
SCHEMBL9372735 0.79 ALDH1A1 (0.37) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL30231132 0.79 HPGD (0.46) KMT2AHCRTR1ALDH1A1HPGDHSD17B10
SCHEMBL22655273 0.79 ALDH1A1 (0.43) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL30231161 0.79 NPSR1 (0.43) ALOX5MEN1KMT2AALDH1A1HSD17B10
SCHEMBL28921458 0.79 NPSR1 (0.43) ALOX5MEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406016-A Synthesis method and application of bicyclo [1, 1] pentane difunctional derivative 天津科技大学 2024-07-30 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-114920706-B Method for preparing 3-acyl-quinoxaline-2 (1H) -ketone by ball milling method 新乡市润宇新材料科技有限公司 2023-10-20 CN disclosed
CN-116789610-A Photocatalytic preparation method of quinoxaline-2, 3-diketone compound 湖南科技学院 2023-09-22 CN disclosed
CN-116410147-A Method for rapidly preparing 3-acyl-quinoxaline-2 (1H) -ketone under ball milling condition 新乡市润宇新材料科技有限公司 2023-07-11 CN disclosed
CN-114524805-B Application of solid acid catalysis multi-component reaction in preparation of fluorine-containing medicine 浙江树人学院(浙江树人大学) 2023-01-24 CN disclosed
CN-115385863-A Synthetic method of 3- (diethoxymethyl) -1-alkyl-2 (1H) -quinoxalinone derivative 河南师范大学 2022-11-25 CN disclosed
CN-114920706-A Method for preparing 3-acyl-quinoxaline-2 (1H) -ketone by ball milling method 新乡市润宇新材料科技有限公司 2022-08-19 CN disclosed
CN-113264923-B Synthesis method of 3-gamma-lactam/acylamino alkyl substituted quinoxalinone derivative 浙江工业大学 2022-07-08 CN disclosed
CN-110483421-B Preparation method of quinoxalinone derivative 沈阳师范大学 2022-06-10 CN disclosed
CN-114524805-A Application of solid acid catalysis multi-component reaction in preparation of fluorine-containing medicine 浙江树人学院(浙江树人大学) 2022-05-24 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-110437164-B Method for synthesizing C-3 alkyl substituted quinoxalinone derivative based on Minisci reaction 浙江工业大学 2022-03-25 CN disclosed
CN-113264923-A Synthesis method of 3-gamma-lactam/acylamino alkyl substituted quinoxalinone derivative 浙江工业大学 2021-08-17 CN disclosed
CN-108752325-B Preparation method of 3-oxyalkyl quinoxaline-2 (1H) -ketone compound 曲阜师范大学 2021-03-23 CN disclosed