SCHEMBL9577

SCHEMBL9577

[O]S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.64
CA1 P00915 9/20 0.64
CA9 Q16790 7/20 0.64
CA12 O43570 6/20 0.64
CA14 Q9ULX7 5/20 0.64
CA3 P07451 3/20 0.64
CA4 P22748 3/20 0.64
CA6 P23280 3/20 0.64
CA5A P35218 3/20 0.64
CA7 P43166 3/20 0.64
CA13 Q8N1Q1 3/20 0.64
CA5B Q9Y2D0 3/20 0.64
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
MMP13 P45452 1/20 0.57
ALDH1A1 P00352 2/20 0.52
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3158508 0.82 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL29507353 0.82 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL11855965 0.82 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL11419996 0.82 CA2 (0.67) CA2CA1CA9CA12CA14
SCHEMBL27909482 0.81 ALDH1A1 (0.72) CA2CA1CA9CA12CA14
SCHEMBL22567 0.81 ALDH1A1 (0.72) CA2CA1CA9CA12CA14
SCHEMBL18736055 0.80 CA2 (0.64) CA2CA1CA9CA12CA14
Sulfuric Acid SCHEMBL28654341 0.79 CA1 (0.62) CA2CA1CA9CA12CA14
SCHEMBL4303189 0.78 CA2 (0.61) CA2CA1CA9CA12CA14
Silver SCHEMBL9982568 0.78 CA2 (0.61) CA2CA1CA9CA12CA14

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

Appears in 3225 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110994-A1 A PROCESS FOR THE PREPARATION OF LEDIPASVIR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-05-30 WO claimed
CN-114605310-B Synthesis method of aza five-membered ring and three-membered ring carboxylic ester derivative and salt thereof 都创(上海)医药科技股份有限公司 2024-05-07 CN claimed
CN-113195450-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN claimed
CN-113227045-B Synthesis of substituted heterocycle fused gamma-carbolines 细胞内治疗公司 2024-04-26 CN claimed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP claimed
CN-115650827-B Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2024-03-15 CN claimed
EP-4306546-A1 GLYCAN, AND METHOD FOR PRODUCING MEDICINE CONTAINING GLYCAN Daiichi Sankyo Company, Limited (JP) 2024-01-17 EP claimed
CN-117285548-A Sulfur-containing artemisinin dimer, and preparation method and application thereof 云南苏理生物医药科技有限公司 2023-12-26 CN claimed
WO-2023240920-A1 SULFUR-CONTAINING ARTEMISININ ANALOGUE DIMER, AND PREPARATION METHOD THEREFOR AND USE THEREOF 云南苏理生物医药科技有限公司 2023-12-21 WO claimed
CN-116917341-A Sugar chain and method for producing pharmaceutical product containing sugar chain 第一三共株式会社 2023-10-20 CN claimed
EP-0431794-A2 3-Fluorosulfonyloxyceph-3-EM displacement process Bristol-Myers Squibb Company (US) 1991-06-12 EP claimed
EP-0394893-A2 Purinyl and pyrimidinyl tetrahydrofurans E.R. SQUIBB & SONS, INC. (US) 1990-10-31 EP claimed
US-4820817-A Process for preparing 3-substituted-6-substituted-7-oxo-1-azabicycl(3.2.0)-hept-2-ene-2-carboxylic acid MERCK & CO., INC. (US) 1989-04-11 US claimed
US-4745188-A ANTIBIOTICS, SULFIDING MERCK & CO., INC. (US) 1988-05-17 US claimed
CN-86102987-A The production method of carbapeneme 1986-11-26 CN claimed
EP-0107859-A1 Tetrazole compounds, process for preparing the same and antibacterial and antifungal compositions containing the same as active ingredient MEIJI SEIKA KAISHA LTD. (JP) 1984-05-09 EP claimed
US-4433156-A Process for preparing fluoran derivatives FUJI PHOTO FILM CO., LTD. (JP) 1984-02-21 US claimed
EP-0038869-A1 Process for the preparation of 1-carbapenems, and intermediates for their preparation MERCK & CO. INC. (US) 1981-11-04 EP claimed
US-4282373-A Process for preparation of thiophenes BEECHAM GROUP LIMITED (GB) 1981-08-04 US claimed
US-4059611-A Oxidative process for the preparation of 2-(5H-dibenzo[a,d]cyclohepten-5-on-2-yl)acetic, propionic and butyric acid SYNTEX (U.S.A.) INC. (US) 1977-11-22 US claimed