SCHEMBL1004096

SCHEMBL1004096

Brc1ccc2cc3ccccc3cc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 6/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP2A6 P11509 5/20 0.44
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
CYP1A2 P05177 5/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL29891613 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL3259243 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL5012382 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL5013845 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL5010132 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
Anthraquinone SCHEMBL28175362 0.87 CES1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL17967022 0.85 CYP1A2 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL1155657 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL28917821 0.79 ALDH1A1 (0.32) ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11211431 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116930245-A Application of metal fullerene electron spin probe in measuring material phase change 中国科学院化学研究所 2023-10-24 CN claimed
WO-2023185265-A1 APPLICATION OF METAL FULLERENE ELECTRON SPIN PROBE IN MEASUREMENT OF PHASE CHANGE OF MATERIAL 中国科学院化学研究所 2023-10-05 WO claimed
CN-112371145-B Two-dimensional carbon nitride photocatalyst containing D-A structure, preparation method and application 江苏大学 2023-05-05 CN claimed
CN-113336694-B Thermally activated sensitized fluorescent dendritic material capable of being processed in solution and preparation method thereof 东南大学 2022-08-26 CN claimed
CN-113336694-A Thermally activated sensitized fluorescent dendritic material capable of being processed in solution and preparation method thereof 东南大学 2021-09-03 CN claimed
CN-112645878-A N-containing compound with specific response to pressure stimulation, preparation method and application 北京工业大学 2021-04-13 CN claimed
CN-111579668-A Method for measuring halogenated polycyclic aromatic hydrocarbon in atmospheric dust 安徽省环境科学研究院 2020-08-25 CN claimed
CN-110143907-A A kind of 9,10- dipyrryl anthracene fluorescent chemicals and its preparation method and application 江西科技师范大学 2019-08-20 CN claimed
CN-108794382-A A kind of multi-functional aggregation-induced emission enhancement compound and the preparation method and application thereof 华南师范大学 2018-11-13 CN claimed
CN-107973900-A A kind of poly- anthracene compound and its preparation method and application 华南理工大学 2018-05-01 CN claimed
CN-101115555-A Catalyst and process for preparing aromatic carboxylic acids PROCESS DESIGN CT B V (NL) 2008-01-30 CN claimed
CN-101111312-A Process for preparing aromatic carboxylic acids PROCESS DESIGN CT B V (NL) 2008-01-23 CN claimed
EP-1861349-A1 IMPROVED RECOVERY OF ENERGY DURING THE PRODUCTION OF AROMATIC CARBOXYLIC ACIDS BP Corporation North America Inc. (US) 2007-12-05 EP claimed
CN-100335591-C Organic electroluminescence liquid crystal compound, and its preparing method and use UNIV TSINGHUA (CN) 2007-09-05 CN claimed
WO-2006102137-A1 IMPROVED RECOVERY OF ENERGY DURING THE PRODUCTION OF AROMATIC CARBOXYLIC ACIDS BP CORPORATION NORTH AMERICA INC. (US) 2006-09-28 WO claimed
CN-1802210-A Oxidation of aromatic hydrocarbons using brominated anthracene promoters BP CORP NORTH AMERICA INC (US) 2006-07-12 CN claimed
CN-1775899-A Organic electroluminescence liquid crystal compound, and its preparing method and use UNIV TSINGHUA (CN) 2006-05-24 CN claimed
CN-1168652-A Radiation-curable organopolysiloxane release compositions AVERY DENNISON CORP (US) 1997-12-24 CN claimed
US-5576417-A Method for synthesizing aromatic polymers DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-11-19 US claimed
US-3965049-A One-step synthesis of aromatic organic diselenides XEROX CORPORATION (US) 1976-06-22 US claimed