SCHEMBL9364286

SCHEMBL9364286

O=COC(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HPGD P15428 1/20 0.44
GSK3B P49841 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2402587 0.89 ALDH1A1 (0.46) CA1CA2MAPTLMNAKMT2A
SCHEMBL8743220 0.81 CES2 (0.48) CES2CES1CA1CA2PTPRF
SCHEMBL2534978 0.81 CES2 (0.48) CES2CES1CA1CA2PTPRF
SCHEMBL593134 0.80 CA1 (0.56) CA1CA2HPGDMAPTSMN1; SMN2
SCHEMBL22191623 0.80 TSHR (0.55) CES2CES1CA1CA2MAPT
SCHEMBL15846817 0.78 LMNA (0.52) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL9630702 0.78 CES2 (0.50) CES2CES1CA1CA2PTPN1
SCHEMBL10050028 0.78 TDP1 (0.59) CES2CES1RAB9ANPC1HPGD
SCHEMBL1377357 0.78 CES2 (0.50) CES2CES1CA1CA2RAB9A
Benzene SCHEMBL28103328 0.77 LMNA (0.58) CES2CES1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573912-A Automobile air outlet thumb wheel with fluorescent function and production process thereof 常州市佳乐车辆配件制造有限公司 2022-06-03 CN claimed
CN-108101856-B Preparation method of acyl-substituted pyrazine compound HENAN AGRICULTURAL UNIVERSITY (CN) 2019-12-10 CN claimed
CN-114956927-B Preparation method of beta-halogenated olefine acid ester derivative 南通大学 2024-01-30 CN disclosed
CN-113583988-B Amino acid dehydrogenase mutant and application thereof 沈阳药科大学 2023-09-12 CN disclosed
CN-115584518-A Electrochemical method for preparing N-alkylamide 桂林理工大学 2023-01-10 CN disclosed
CN-111978201-B Synthesis method of N, N' -diaryl benzoyl hydrazine compound 甘肃农业大学 2023-01-03 CN disclosed
CN-111662202-B Synthetic method of alpha-ketoamide compound 五邑大学 2022-09-30 CN disclosed
CN-114956927-A Preparation method of beta-halogenated olefine acid ester derivative 南通大学 2022-08-30 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-114573912-A Automobile air outlet thumb wheel with fluorescent function and production process thereof 常州市佳乐车辆配件制造有限公司 2022-06-03 CN disclosed
CN-113583988-A Amino acid dehydrogenase mutant and application thereof 沈阳药科大学 2021-11-02 CN disclosed
CN-105330628-B Method for preparing 4-hydroxy butenolide from keto acid and alkyne 苏州大学 2021-10-26 CN disclosed
CN-109232282-B Synthetic method of 2-aminobenzophenone compound 新乡医学院 2021-03-02 CN disclosed
CN-111662202-A Synthetic method of alpha-ketoamide compound 五邑大学 2020-09-15 CN disclosed
CN-111065623-A Linker for antibody drug conjugates 德克萨斯州大学系统董事会 2020-04-24 CN disclosed
EP-0469045-B1 SYNTHETIC $i(PSEUDOMONAS) $i(AERUGINOSA) PILIN PEPTIDE AND RELATED VACCINES AND DIAGNOSTICS UNIV ALBERTA (CA) 1994-06-15 EP disclosed
EP-0119705-B1 OCTAPEPTIDE VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-09-06 EP disclosed