SCHEMBL67827

SCHEMBL67827

O=S(=O)(Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
MMP1 P03956 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
CES2 O00748 1/20 0.50
MGLL Q99685 1/20 0.50
AKR1B1 P15121 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9876379 0.88 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL6887529 0.86 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL20084555 0.85 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL8863056 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL30859041 0.83 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL1907531 0.83 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL4616498 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL11261755 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL1894781 0.82 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL11438493 0.82 ALDH1A1 (0.48) CA1CA2MMP1MMP2MMP9

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 1986 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420484-B Method for preparing amide compounds 四川大学 2024-08-30 CN claimed
CN-118420484-A Method for preparing amide compounds 四川大学 2024-08-02 CN claimed
CN-114369082-B Pyridine substituted spiro compounds and application thereof in preparation of anti-plant virus agent 贵州大学 2023-09-05 CN claimed
CN-114369082-A Pyridine substituted spiro compound, preparation method thereof and application thereof in preparation of anti-plant virus medicament 贵州大学 2022-04-19 CN claimed
CN-109336795-B Preparation method of 3-trifluoromethylthiophenol and 3-methylthio benzotrifluoride 利尔化学股份有限公司 2020-12-25 CN claimed
CN-109336795-A The preparation method of 3- trifluoromethyl thiophenol and 3- methyl mercapto benzotrifluoride 利尔化学股份有限公司 2019-02-15 CN claimed
WO-2013102936-A1 N-(3-((DIETHYLAMINO) METHYL)-4-HYDROXYPHENYL)-N-(QUINOLIN-4-YL) SULFONAMIDES FOR THE TREATMENT OF TUBERCULOSIS AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-11 WO claimed
CN-102531978-A Preparation method of thiophenol UNIV ZHEJIANG 2012-07-04 CN claimed
EP-2385831-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT The UAB Research Foundation (US) 2011-11-16 EP claimed
US-20110254866-A1 INFORMATION PROCESSING APPARATUS, METHOD AND PROGRAM THEREFORE SONY CORPORATION (JP) 2011-10-20 US claimed
WO-2010123591-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2010-10-28 WO claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-0193390-B1 AN N-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)-3-TRIFLUOROMETHYL-BENZENESULFONAMIDE DERIVATIVE, PROCESS OF PREPARING IT AND AGRICULTURAL FUNGICIDE CONTAINING IT MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-05-04 EP claimed
EP-0193390-A1 An n-(2-chloro-4-trifluoromethylphenyl)-3-trifluoromethyl-benzenesulfonamide derivative, process of preparing it and agricultural fungicide containing it MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-09-03 EP claimed
EP-0021592-A1 Phenylsulphonamide derivatives, a process for their preparation and their use as medicines BEECHAM - WUELFING GmbH & Co. KG (DE) 1981-01-07 EP claimed
JP-63104952-A None JP disclosed
JP-63270658-A None JP disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-4049695-A BACTERICIDE, FUNGICIDE THE DOW CHEMICAL COMPANY (US) 1977-09-20 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed