SCHEMBL743489

SCHEMBL743489

CC(O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALOX5 P09917 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
CYP2A6 P11509 1/20 0.44
UGT2B7 P16662 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PYCR1 P32322 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 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
SCHEMBL28606703 1.00 CYP1A2 (0.46) CYP1A2ALOX5NOS3NOS1CYP2A6
SCHEMBL3889506 1.00 CYP1A2 (0.46) CYP1A2ALOX5NOS3NOS1CYP2A6
SCHEMBL1318871 1.00 CYP1A2 (0.46) CYP1A2ALOX5NOS3NOS1CYP2A6
SCHEMBL11620045 0.93 PTPN5 (0.46) CYP1A2ALOX5NOS3NOS1CYP2A6
Acetic Acid SCHEMBL28752625 0.89 CYP1A2 (0.53) CYP1A2ALOX5NOS3NOS1SMN1; SMN2
Acetic Acid SCHEMBL28752618 0.89 CYP1A2 (0.53) CYP1A2ALOX5NOS3NOS1SMN1; SMN2
Acetic Acid SCHEMBL28752621 0.89 CYP1A2 (0.53) CYP1A2ALOX5NOS3NOS1SMN1; SMN2
SCHEMBL11128248 0.87 CYP2C19 (0.42) CYP1A2ALOX5NOS3NOS1UGT2B7
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1ALOX15
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004802-A Method for synthesizing N-alkyl substituted 3, 5-dimethylpyrazole compound by one-pot method 四川轻化工大学 2025-05-16 CN claimed
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
CN-119409729-A Method for preparing S- (1H-pyrrole-2-yl) substituted phosphorothioate compound 岳阳凯茂化工材料有限公司 2025-02-11 CN claimed
WO-2024177860-A1 IN CHEMICO TEST FOR TOXICITY LEBRUN LABS LLC (US) 2024-08-29 WO claimed
CN-117943084-A Transition metal catalyst, preparation method and method for preparing organic acid by oxidation and pyrolysis of secondary alcohol 中国科学院大连化学物理研究所 2024-04-30 CN claimed
CN-114405437-B Photoelectrocatalysis device and application thereof 太原师范学院 2023-10-27 CN claimed
CN-114634451-B Method for synthesizing pyrimidine derivative mediated by t-BuOK 南京师范大学 2023-10-24 CN claimed
CN-114292385-B Nitrogen-containing porous organic polymer composite material and preparation method and application thereof 苏州大学 2023-09-05 CN claimed
CN-114438068-B NH (NH) 2 Preparation method and application of-Co-MOF carrier immobilized enzyme 湖南理工学院 2023-09-01 CN claimed
WO-2023123126-A1 NITROGEN-CONTAINING POROUS ORGANIC POLYMER COMPOSITE MATERIAL AND PREPARATION METHOD AND APPLICATION THEREOF 苏州大学 2023-07-06 WO claimed
CN-114405437-A Photoelectrocatalysis device and application thereof 太原师范学院 2022-04-29 CN claimed
CN-114292385-A Nitrogen-containing porous organic polymer composite material and preparation method and application thereof 苏州大学 2022-04-08 CN claimed
CN-111621031-B Preparation method and application of mimic enzyme MOF-based chiral separation material 合肥工业大学 2022-03-18 CN claimed
CN-113845442-A Method for preparing p-bromobenzonitrile 孙国伟 2021-12-28 CN claimed
CN-112239541-A Dielectric elastomer material with high dielectric constant, low modulus and high breakdown field strength and preparation method thereof 北京化工大学 2021-01-19 CN claimed
CN-111621031-A Preparation method and application of mimic enzyme MOF-based chiral separation material 合肥工业大学 2020-09-04 CN claimed
CN-107952462-A Method for preparing supported nano cobalt catalyst by pyrolyzing eutectic solvent and application thereof 江西师范大学 2018-04-24 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-4868344-A OPTICALLY PURE HALOALCOHOLS ALDRICH-BORANES, INC. (US) 1989-09-19 US claimed