SCHEMBL57112

SCHEMBL57112

O=[N+]([O-])c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
ATM Q13315 1/20 1.00
HSPB1 P04792 6/20 0.54
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 1/20 0.47
PDE7A Q13946 1/20 0.45
TTR P02766 1/20 0.45
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
USP10 Q14694 1/20 0.43
USP7 Q93009 1/20 0.43
USP47 Q96K76 1/20 0.43
MAPK1 P28482 1/20 0.42
ESPL1 Q14674 1/20 0.42
CASP6 P55212 1/20 0.42
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL29385912 1.00 TDP1 (1.00) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL31121788 0.98 TDP1 (0.96) TDP1ATMHSPB1ALDH1A1HIF1A
Methyl Alcohol SCHEMBL29115301 0.94 ATM (0.88) TDP1ATMHSPB1ALDH1A1HIF1A
Acetonitrile SCHEMBL28605591 0.89 TDP1 (0.79) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL21994357 0.86 TDP1 (0.73) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL27739457 0.86 TDP1 (0.73) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL29745239 0.84 TDP1 (0.72) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL216553 0.84 TDP1 (0.72) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL17749477 0.84 TDP1 (0.71) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL102780 0.82 ATM (0.69) TDP1ATMHSPB1ALDH1A1HIF1A

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 2793 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344302-A Preparation method of flumioxazin intermediate 北京颖泰嘉和生物科技股份有限公司 2024-07-16 CN claimed
US-20240207381-A1 BIHAPTENIZED AUTOLOGOUS VACCINES AND USES THEREOF BIOVAXYS INC (US) 2024-06-27 US claimed
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN claimed
CN-118139495-A Preparation method of doped hole transport layer, photovoltaic cell and preparation method thereof 四川恒立聚能光电科技有限公司 2024-06-04 CN claimed
CN-116082325-B Benzoxazinone compound containing isoxazole heterocycle, and preparation method and application thereof 浙江工业大学 2024-04-16 CN claimed
CN-117705963-A Method for detecting related substances in 2, 4-difluoronitrobenzene 南京一诺医药科技有限公司 2024-03-15 CN claimed
CN-114621097-B Method for preparing 2, 4-difluoroaniline by catalytic hydrogenation of 2, 4-difluoronitrobenzene 浙江解氏新材料股份有限公司 2024-03-15 CN claimed
CN-117658885-A Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-08 CN claimed
EP-4329779-A1 BIHAPTENIZED AUTOLOGOUS VACCINES AND USES THEREOF BioVaxys Inc. (US) 2024-03-06 EP claimed
CN-113929582-B Synthesis method of 2- (5-fluoro-2-nitrophenoxy) acetate 山东京博农化科技股份有限公司 2024-01-16 CN claimed
EP-0537592-A1 Process for the preparation of 2-nitro-5-fluoro- respectively -5-chloro-phenol HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-21 EP claimed
EP-0243000-B1 POLYCYANOARYL ETHER, METHOD FOR PREPARING THE SAME AND USES THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-03 EP claimed
EP-0243000-A1 Polycyanoaryl ether, method for preparing the same and uses thereof IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-28 EP claimed
US-4642399-A REACTION OF CHLORONITRO BENZENE COMPOUNDS WITH FLUORIDE SALT MALLINCKRODT, INC. (US) 1987-02-10 US claimed
EP-0032620-B2 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1987-02-04 EP claimed
EP-0032620-B1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1984-05-30 EP claimed
US-4418229-A DISPLACEMENT OF CHLORONITROBENZENES WITH A FLUORIDE SALT, QUATERNARY AMMONIUM PHASE TRANSFER CATALYSTS MALLINCKRODT, INC. (US) 1983-11-29 US claimed
EP-0032620-A1 Process for preparing therapeutic 2-arylpropionic acids and esters, and novel arylmethylmalonate esters THE UPJOHN COMPANY (US) 1981-07-29 EP claimed
EP-0001427-B1 2,6-DICHLORO-3'-FLUORO-4-TRIFLUOROMETHYL-6'-NITRODIPHENYL ETHER, A PROCESS FOR ITS PREPARATION AND ITS APPLICATION AS A DEFOLIATION AGENT FOR COTTON BAYER AG (DE) 1980-09-17 EP claimed
EP-0001427-A1 2,6-Dichloro-3'-fluoro-4-trifluoromethyl-6'-nitrodiphenyl ether, a process for its preparation and its application as a defoliation agent for cotton BAYER AG (DE) 1979-04-18 EP claimed