SCHEMBL97699

SCHEMBL97699

O=Cc1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE10A Q9Y233 1/20 0.47
PIM1 P11309 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.43
GPR3 P46089 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ERN1 O75460 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL27991306 0.98 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL28747408 0.98 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10PDE10A
Hydrochloric Acid SCHEMBL28114264 0.98 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL525672 0.82 PDE10A (0.50) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL6852180 0.80 RAB9A (0.48) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL6852174 0.80 RAB9A (0.48) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL5845185 0.78 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL896448 0.78 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL3559408 0.78 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL27321431 0.78 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
CN-113831330-B New method for three-step synthesis of drug molecule 3- (2-thiophene-2-methylene) hydrazinoquinoxaline-2-ketone 桂林理工大学 2024-02-06 CN claimed
CN-113861121-B Novel method for generating 2, 3-dihydroxyquinoxaline and derivatives thereof through direct oxidation 桂林理工大学 2023-11-17 CN claimed
CN-116789610-A Photocatalytic preparation method of quinoxaline-2, 3-diketone compound 湖南科技学院 2023-09-22 CN claimed
CN-111018795-B Method for synthesizing quinoxaline-3-ketone under alkaline condition 上海彩迩文生化科技有限公司 2023-03-28 CN claimed
CN-113620891-B Method for preparing quinoxaline-2-ketone derivative by controllable catalysis 浙江树人学院(浙江树人大学) 2023-01-17 CN claimed
CN-114621983-B Method for improving DHA (docosahexaenoic acid) yield of schizochytrium limacinum and preparation method of microbial oil 南京师范大学 2022-08-16 CN claimed
CN-110218195-B Stable isotope labeled quinoxaline-2-carboxylic acid and synthesis method thereof 上海安谱实验科技股份有限公司 2022-08-09 CN claimed
CN-114621983-A Method for improving DHA (docosahexaenoic acid) yield of schizochytrium limacinum and preparation method of microbial oil 南京师范大学 2022-06-14 CN claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
CN-1168633-A Boronic ester and acid compounds, their synthesis and use PROSCRIPT INC (US) 1997-12-24 CN claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 WO claimed
US-5292737-A Inhibit protein kinase activity; antiinflammatory/antitumor agents; treatment for cardiovascular disorders SPHINX PHARMACEUTICALS CORPORATION (US) 1994-03-08 US claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed