SCHEMBL419323

SCHEMBL419323

NNS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
CA1 P00915 1/20 0.62
CA9 Q16790 1/20 0.62
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HCRTR1 O43613 1/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53

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
SCHEMBL30442076 1.00 CA2 (0.62) CA2CA1CA9F2PRSS1
SCHEMBL8328504 0.87 NSD2 (0.52) CA2CA1CA9F2PRSS1
SCHEMBL28265953 0.85 CASP1 (0.51) CA2CA1CA9F2PRSS1
SCHEMBL6580093 0.83 CA1 (0.61) CA2CA1CA9F2PRSS1
SCHEMBL10991218 0.83 LDHA (0.47) CA2CA1CA9F2PRSS1
SCHEMBL6006634 0.81 CYP3A4 (0.69) CA2CA1CA9F2PRSS1
SCHEMBL1427884 0.80 CA1 (0.48) CA2CA1CA9CYP2C9HTR6
SCHEMBL8224014 0.80 F2 (0.60) CA2CA1CA9F2PRSS1
SCHEMBL2371351 0.80 CA1 (0.57) CA2CA1CA9F2PRSS1
SCHEMBL10994471 0.80 CA1 (0.57) CA2CA1CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105355-A A kind of preparation method of 1,2,3- triazole-[1,5-a] and quinolines 烟台大学 2019-08-09 CN claimed
CN-103396464-A Preparation method of ivermectin HEBEI VEYON ANIMAL PHARMACEUTICAL CO LTD 2013-11-20 CN claimed
CN-102101948-A Ammonia-releasing, nitrogen-releasing, acid-producing foaming dissolution inhibitor/promoter for thermosensitive computer to plate (CTP) plate, and preparation method and use thereof WEIHAI ECONOMIC ZONE TIANCHENG CHEMICAL AND ENGINEERING CO LTD 2011-06-22 CN claimed
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 CN claimed
EP-0103840-B1 METHOD FOR PREPARING 1,2,3-TRIHETERO 5-MEMBERED HETEROCYCLIC COMPOUNDS LEDERLE (JAPAN) LTD. (JP) 1987-03-04 EP claimed
US-4540794-A Method for preparing 5-mercapto-1,2,3-thiadiazole salts LEDERLE (JAPAN), LTD. (JP) 1985-09-10 US claimed
EP-0103840-A2 Method for preparing 1,2,3-trihetero 5-membered heterocyclic compounds LEDERLE (JAPAN) LTD. (JP) 1984-03-28 EP claimed
CN-114411178-B Polysubstituted pyrazole compound and electrochemical synthesis method thereof 南京工业大学 2023-06-30 CN disclosed
CN-111995620-B Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2023-06-06 CN disclosed
CN-111978216-B Preparation method of beta-carbonyl sulfone compound 西南医科大学 2023-02-03 CN disclosed
CN-112341376-B Preparation method of cycloolefine amine sulfone derivative 温州医科大学 2022-12-06 CN disclosed
CN-109232420-B Method for synthesizing 6-sulfone methyl phenanthridine derivatives through visible light catalysis 上饶师范学院 2021-12-24 CN disclosed
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 CN disclosed
US-4525487-A FROM USATURATED POLYESTER SULFONYL HYDRAZIDE, PROMOTER, CATALYST, AND QATERNARY AMMONIUM SALT UNIROYAL, INC. (US) 1985-06-25 US disclosed
US-4521542-A Arylsulphonyl hydrazones as blowing agents BAYER AKTIENGESELLSCHAFT (DE) 1985-06-04 US disclosed
EP-0103840-A2 Method for preparing 1,2,3-trihetero 5-membered heterocyclic compounds LEDERLE (JAPAN) LTD. (JP) 1984-03-28 EP disclosed
EP-0101197-A2 Method for preparing foam using cobalt/potassium promoters UNIROYAL, INC. (US) 1984-02-22 EP disclosed
US-4401771-A HYDROCARBYLSULFONYL HYDRAZIDE FOAMING AGENT UNIROYAL, INC. (US) 1983-08-30 US disclosed
US-4327196-A USING SULFONYL HYDRAZIDE BLOWING AGENTS, PEROXIDE CURING AGENTS FOR SIMULTANEOUS FOAMING AND CURING UNIROYAL, INC. (US) 1982-04-27 US disclosed
EP-0034201-A1 Method and composition for making foamed crosslinked polyethylene Argus Chemical Corporation (US) 1981-08-26 EP disclosed