SCHEMBL183959

SCHEMBL183959

NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 1.00
CA9 Q16790 16/20 0.86
CA12 O43570 14/20 0.86
CA1 P00915 15/20 0.64
CA7 P43166 9/20 0.60
CA5A P35218 8/20 0.59
CA5B Q9Y2D0 8/20 0.59
CA4 P22748 8/20 0.59
CA14 Q9ULX7 7/20 0.59
CA6 P23280 6/20 0.59
CA13 Q8N1Q1 3/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
AGO2 Q9UKV8 1/20 0.59
CA3 P07451 3/20 0.56
PLA2G7 Q13093 1/20 0.55
PLCG1 P19174 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54

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
Hydrochloric Acid SCHEMBL3536600 0.97 CA2 (0.95) CA2CA9CA12CA1CA7
SCHEMBL22080317 0.87 HTT (0.79) CA2CA9CA12CA1CA7
SCHEMBL31571432 0.87 CA2 (0.75) CA2CA9CA12CA1CA7
SCHEMBL28159984 0.87 CA2 (0.75) CA2CA9CA12CA1CA7
SCHEMBL202948 0.85 CA2 (0.81) CA2CA9CA12CA1CA7
SCHEMBL28617028 0.82 CA2 (0.73) CA2CA9CA12CA1CA7
SCHEMBL8974243 0.82 CA2 (0.71) CA2CA9CA12CA1CA7
SCHEMBL20547699 0.80 CA2 (0.64) CA2CA9CA12CA1CA7
SCHEMBL6050803 0.80 CA2 (0.69) CA2CA9CA12CA1CA7
SCHEMBL6050841 0.80 PTGS2 (0.70) CA2CA9CA12CA1CA5A

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 1329 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117643584-A Preparation method of sulfachromone compound for candida albicans resistant medicine 广西民族大学 2024-03-05 CN claimed
CN-114507179-B Para-benzene ring butanamide rosemary compound serving as hyaluronidase inhibitor and application of para-benzene ring butanamide rosemary compound in beauty products 北京青颜博识健康管理有限公司 2022-10-04 CN claimed
CN-114195714-A Simple synthesis method of celecoxib 山东铂源药业有限公司 2022-03-18 CN claimed
CN-111100092-A Method for direct amination of thioamide-oriented aromatic hydrocarbon carbon-hydrogen 宁夏大学 2020-05-05 CN claimed
CN-110240570-A A kind of preparation method of SC 69124 sodium impurity 浙江震元制药有限公司 2019-09-17 CN claimed
CN-109134391-A A kind of acyl sulfonamides analog derivative and the preparation method and application thereof 山东大学 2019-01-04 CN claimed
CN-102558056-B Celecoxib and preparing method thereof JIANGSU FANGSHENG PHARMACEUTICAL CO LTD 2014-04-09 CN claimed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP claimed
CN-101709045-B Preparation method of thiophenol UNIV ZHEJIANG 2013-02-27 CN claimed
CN-102558056-A Celecoxib and preparing method thereof HUNAN FANGSHENG PHARMACEUTICAL CO LTD 2012-07-11 CN claimed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 CN claimed
JP-4642242-B2 2011-03-02 JP claimed
CN-101709045-A Preparation method of thiophenol UNIV ZHEJIANG 2010-05-19 CN claimed
EP-1155003-B1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-08-11 EP claimed
JP-2002536438-A 2002-10-29 JP claimed
WO-2002068586-A2 HIV/FIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2002-09-06 WO claimed
US-6340679-B1 FOR INHIBITING BONE RESORPTION, OSTEOPOROSIS, TUMOR GROWTH OR TUMOR METASTASIS, INFLAMMATION, OR FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES, RETINOPATHIES OR RHEUMATOID ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-22 US claimed
EP-1155003-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2001-11-21 EP claimed
WO-2000047564-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-17 WO claimed
EP-1028114-A1 Novel guanidine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2000-08-16 EP claimed