SCHEMBL1683277

SCHEMBL1683277

[N-]=[N+]=NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CA2 P00918 4/20 0.45
PLCG1 P19174 1/20 0.43
MMP2 P08253 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CA14 Q9ULX7 2/20 0.40
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10823807 0.89 CA1 (0.43) F2PRSS1PRSS2PRSS3CA2
SCHEMBL5676376 0.83 CA2 (0.41) F2PRSS1PRSS2PRSS3CA2
SCHEMBL10223828 0.82 AGER (0.49) CA2CA12CA9CA1MAPT
SCHEMBL580186 0.79 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL3090434 0.79 F2 (0.52) F2PRSS1PRSS2PRSS3CA2
SCHEMBL11596619 0.79 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL9645847 0.79 LMNA (0.46) F2PRSS1PRSS2PRSS3CA2
SCHEMBL4126964 0.79 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL137120 0.79 F2 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL10222711 0.79 BCL2L1 (0.40) F2PRSS1PRSS2PRSS3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 CN claimed
CN-113416165-B Synthesis method and application of 2-imine pyridine derivative 四川大学 2023-04-07 CN claimed
CN-111187184-B Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2022-04-08 CN claimed
CN-111187184-A Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2020-05-22 CN claimed
CN-119462384-A Pterostilbene derivatives and their use in preparing medicine for treating and/or preventing diseases caused by oxidative stress 常州大学 2025-02-18 CN disclosed
CN-117924125-A Method for preparing sulfonamide derivative through visible light catalysis without metal participation 苏州大学 2024-04-26 CN disclosed
WO-2024011744-A1 METHOD FOR PREPARING POLYTHIOIMIDATE BASED ON MULTI-COMPONENT POLYMERIZATION OF ALKYNE, SULFONYL AZIDE AND THIOL 江苏中利集团股份有限公司 2024-01-18 WO disclosed
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 CN disclosed
CN-113416165-B Synthesis method and application of 2-imine pyridine derivative 四川大学 2023-04-07 CN disclosed
CN-114315708-B Preparation method of 2-sulfamide pyridine derivative 广东湛江海洋医药研究院 2023-02-17 CN disclosed
CN-113549020-B Quinazoline derivatives, their preparation and use 苏州大学 2023-02-10 CN disclosed
CN-114891216-B Method for preparing polythioimidate by multi-component polymerization based on alkyne, sulfonyl azide and thiol 江苏中利集团股份有限公司 2022-09-30 CN disclosed
US-4259494-A ANTIHISTAMINIC, ANTITUSSIVE, ANTIINFLAMMATORY, SEDATIVE, DIURETIC WARNER-LAMBERT COMPANY (US) 1981-03-31 US disclosed
US-4120652-A LOW TEMPERATURE BLEACHING FMC CORPORATION (US) 1978-10-17 US disclosed
US-4110448-A ANTIHISTAMINE, ANTITUSSIVE, ANTIINFLAMMATORY, SEDATIVE, DIURETIC WARNER-LAMBERT COMPANY (US) 1978-08-29 US disclosed
US-4076723-A ANTIHISTAMINES, ANTITUSSIVE AGENTS, ANTIINFLAMMATORY AGENTS, SEDATIVES, DIURETICS WARNER-LAMBERT COMPANY (US) 1978-02-28 US disclosed
US-4033981-A ANTIHISTOMINIC, ANTIINFLAMMATORY, SEDATIVES, DIURETICS WARNER-LAMBERT COMPANY (US) 1977-07-05 US disclosed
US-3998999-A Process for preparing pyrazomycin and pyrazomycin B HOFFMANN-LA ROCHE INC. (US) 1976-12-21 US disclosed
US-3992376-A ANTIHISTAMINES, ANTITUSSIVES, SEDATIVES, ANTIINFLAMMATORY AGENTS AND DIURETICS WARNER-LAMBERT COMPANY (US) 1976-11-16 US disclosed
US-3978052-A ANTIHISTAMINIC, ANTITUSSIVE, ANTIINFLAMMATORY, DIURETIC WARNER-LAMBERT COMPANY (US) 1976-08-31 US disclosed