SCHEMBL3437073

SCHEMBL3437073

COC(=O)c1ccc(S(C)(=O)=O)c(CBr)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.40
VCAM1 P19320 1/20 0.38
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA5A P35218 1/20 0.38
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK4 Q16654 2/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL29246851 0.87 VCAM1 (0.39) CDK1VCAM1CA2CA1CA9
SCHEMBL29246879 0.87 CA2 (0.39) CDK1VCAM1CA2CA1CA9
SCHEMBL31121872 0.86 CYP4F2 (0.47) CA2CA1CA9KDM4EHSD17B10
SCHEMBL21177157 0.86 CYP4F2 (0.47) CA2CA1CA9KDM4EHSD17B10
SCHEMBL9075730 0.86 VCAM1 (0.38) CDK1VCAM1CA2CA1CA9
SCHEMBL28715660 0.85 CA12 (0.38) CA2CA1CA9KDM4EALDH1A1
SCHEMBL4703972 0.84 CDK1 (0.40) CDK1VCAM1CA2CA1CA9
SCHEMBL31223252 0.84 CYP1A2 (0.36) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL31147083 0.84 LMNA (0.41) SMN1; SMN2ALDH1A1TSHRMAPTHPGD
SCHEMBL4508862 0.84 LMNA (0.41) SMN1; SMN2ALDH1A1TSHRMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126084-A Process for the preparation of cyclosulfones 安徽久易农业股份有限公司 2023-11-28 CN claimed
CN-116375614-A Synthesis method of cyclosulfamide intermediate 江西扬帆新材料有限公司 2023-07-04 CN claimed
CN-108409616-B Preparation method of 3-bromomethyl-2-halo-4-alkylsulfonylbenzoate 北京颖泰嘉和生物科技股份有限公司 2021-10-01 CN claimed
CN-213467334-U Synthesis system of 3-bromomethyl-2-chloro-4-methylsulfonyl methyl benzoate 帕潘纳(北京)科技有限公司 2021-06-18 CN claimed
CN-112645853-A Preparation method of 2-chloro-3-alkoxymethyl-4-methylsulfonylbenzoic acid 江西天宇化工有限公司 2021-04-13 CN claimed
CN-109535106-B Preparation method of benzofuranone 安徽工大化工科技有限公司 2020-12-29 CN claimed
CN-118063360-A Preparation method of substituted benzoic acid and derivative thereof 帕潘纳(北京)科技有限公司 2024-05-24 CN disclosed
CN-117986167-A Preparation method of cyclosulfamide 帕潘纳(北京)科技有限公司 2024-05-07 CN disclosed
CN-112409226-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112409263-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-114560795-B Method for preparing cyclosulfamide 浙江先锋科技股份有限公司 2024-04-05 CN disclosed
CN-117126084-A Process for the preparation of cyclosulfones 安徽久易农业股份有限公司 2023-11-28 CN disclosed
CN-117024382-A Preparation method of furansulcotrione and intermediate thereof 安徽久易农业股份有限公司 2023-11-10 CN disclosed
US-5846907-A Herbicidally active pyrazol-4-ylbenzoyl compounds BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5834402-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4885022-A Herbicidal pyrazole derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed