SCHEMBL417608

SCHEMBL417608

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.66
CA1 P00915 8/20 0.66
CA12 O43570 5/20 0.66
CA9 Q16790 5/20 0.66
CA14 Q9ULX7 4/20 0.66
CA3 P07451 2/20 0.66
CA4 P22748 2/20 0.66
CA6 P23280 2/20 0.66
CA5A P35218 2/20 0.66
CA7 P43166 2/20 0.66
CA13 Q8N1Q1 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
MMP2 P08253 2/20 0.66
MMP1 P03956 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
F2 P00734 2/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 2/20 0.59

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 SCHEMBL28979664 0.98 CA2 (0.63) CA2CA1CA12CA9CA14
SCHEMBL10494215 0.83 CA2 (0.70) CA2CA1CA12CA9CA14
SCHEMBL1706125 0.82 SMN1; SMN2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL2956545 0.80 CA2 (0.71) CA2CA1CA12CA9CA5A
SCHEMBL28691513 0.79 CA2 (0.66) CA2CA1CA12CA9CA14
SCHEMBL12353364 0.79 CA2 (0.66) CA2CA1CA12CA9CA14
SCHEMBL526906 0.79 CA2 (1.00) CA2CA1CA12CA9CA14
SCHEMBL6308870 0.79 CA2 (0.66) CA2CA1CA12CA9CA14
SCHEMBL10531768 0.79 CA2 (0.66) CA2CA1CA12CA9CA14
SCHEMBL2121747 0.79 CA2 (0.66) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN claimed
CN-114315637-B Preparation method of carboxyamidotriazole and carboxyamidotriazole intermediate 广东银珠医药科技有限公司 2022-06-21 CN claimed
CN-111217725-B Mild synthesis method of diaryl substituted benzenesulfonyl hydrazide 江西理工大学 2022-04-26 CN claimed
CN-114315637-A Preparation method of carboxyamidotriazole and carboxyamidotriazole intermediate 广东银珠医药科技有限公司 2022-04-12 CN claimed
CN-111689883-B Synthetic method of diaryl sulfone compound 上海应用技术大学 2022-02-11 CN claimed
CN-110590667-B 3-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof 华南理工大学 2020-12-22 CN claimed
CN-111689883-A Synthetic method of diaryl sulfone compound 上海应用技术大学 2020-09-22 CN claimed
CN-110590667-A 3-trifluoromethyl substituted pyrazole derivative and synthesis method and application thereof 华南理工大学 2019-12-20 CN claimed
CN-119569658-A Sulfonyl pyridazinone compound and preparation method and application thereof 华南师范大学 2025-03-07 CN disclosed
CN-114591207-B Synthesis method of cycloalkyl aryl thioether compound 台州学院 2024-03-26 CN disclosed
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN disclosed
CN-114634516-B Coumarin pyrazole compound and preparation method thereof 安徽中医药大学 2023-06-30 CN disclosed
WO-2023074936-A1 BIFUNCTIONAL COMPOUND USING UBR BOX DOMAIN-BINDING LIGAND 주식회사 오토텍바이오 2023-05-04 WO disclosed
CN-111978216-B Preparation method of beta-carbonyl sulfone compound 西南医科大学 2023-02-03 CN disclosed
US-4236007-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-25 US disclosed
US-4180665-A Substituted 3-benz(cd)indol-2-(1H)-ylidene-furo[2,3-b]quinoxalin-2(3H)one dyestuffs CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1979-12-25 US disclosed
US-4159379-A Dispersion dyestuffs of the naphtholactam series CIBA-GEIGY AG (CH) 1979-06-26 US disclosed
US-4148805-A POLYESTERS, RED, YELLLOW CIBA-GEIGY AG (CH) 1979-04-10 US disclosed
US-4146541-A YELLOW SHADE ON POLYESTERS CIBA-GEIGY AG (CH) 1979-03-27 US disclosed
US-3946096-A Securing a filamentous extrudate into a base material matrix at least one of which is expandable PHILLIPS PETROLEUM COMPANY (US) 1976-03-23 US disclosed