Fluorobenzene

Fluorobenzene

SCHEMBL2006171

CCO.Fc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Fluorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ACHE P22303 1/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPA1 O75762 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.40
KCNN4 O15554 2/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40

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
Fluorobenzene SCHEMBL29268470 0.89 TDP1 (0.40) NFE2L2PLA2G1BATG4BTSHRKMT2A
Fluorobenzene SCHEMBL27617521 0.88 TP53 (0.45) NFE2L2PLA2G1BATG4BACHETSHR
Alcohol SCHEMBL28041790 0.87 ACHE (0.53) ACHETSHRTRPA1ALDH1A1HTR7
Fluorobenzene SCHEMBL27559273 0.86 PTGS2 (0.48) TSHRKMT2AMAPK1HSD17B10L3MBTL1
Fluorobenzene SCHEMBL9334312 0.85 TDP1 (0.46) NFE2L2PLA2G1BATG4BTSHRKMT2A
Fluorobenzene SCHEMBL27600852 0.85 TP53 (0.43) NFE2L2PLA2G1BATG4BACHETSHR
Fluorobenzene SCHEMBL27553303 0.84
Fluorobenzene SCHEMBL10439994 0.82 LOXL2 (0.43) NFE2L2TSHRKMT2AMAPK1HSD17B10
Fluorobenzene SCHEMBL27841178 0.82 TP53 (0.41) NFE2L2PLA2G1BATG4BACHETSHR
Fluorobenzene SCHEMBL27339139 0.82 TSHR (0.41) NFE2L2ACHETSHRKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772141-A Synthetic method of aryl-containing piperidine derivative Boc piperidine 4-fluorophenylethanol 苏州汉德创宏生化科技有限公司 2023-03-10 CN claimed
CN-110192294-A LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME 株式会社LG化学 2019-08-30 CN claimed
CN-109810572-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN claimed
CN-101704756-B The synthetic method of 1-(4-fluorophenyl)-2-methyl-2-propylamine 大连九信精细化工有限公司 2017-12-05 CN claimed
CN-105087668-A Method for preparing (S)-fluoro-phenyl ethanol with penicillium UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN claimed
CN-105039430-A Method for producing (S)-fluobenzene ethanol through candida UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN claimed
CN-101704756-A Synthesis method of 1- (4-fluorophenyl) -2-methyl-2-propylamine DALIAN KAIFEI FINE CHEMICALS C 2010-05-12 CN claimed
CN-122079717-A Efficient oxygen deleting reagent and application thereof in carbon resource molecular skeleton deoxidizing reconstruction 2026-05-26 CN disclosed
CN-118084634-A Preparation method of fluorine-containing ether and fluorine-containing ether 纯钧新材料(深圳)有限公司 2024-05-28 CN disclosed
CN-116514880-A Novel PNNO and PNNN chiral tetradentate ligand and application thereof in asymmetric hydrogenation 凯特立斯(深圳)科技有限公司 2023-08-01 CN disclosed
CN-115772141-A Synthetic method of aryl-containing piperidine derivative Boc piperidine 4-fluorophenylethanol 苏州汉德创宏生化科技有限公司 2023-03-10 CN disclosed
CN-115772141-A Synthetic method of aryl-containing piperidine derivative Boc piperidine 4-fluorophenylethanol 苏州汉德创宏生化科技有限公司 2023-03-10 CN disclosed
CN-108367410-B Method for rejuvenating slurry of abrasive material KONICA MINOLTA,INC. (JP) 2019-11-01 CN disclosed
CN-1336821-A Substituted 1-(piperidin-4-yl)-3-(aryl)-isothioureas, their prepn. and therapeutic use PF MEDICAMENT (FR) 2002-02-20 CN disclosed
CN-1325540-A Polishing liquid for metal and polishing method HITACHI CHEMICAL CO LTD (JP) 2001-12-05 CN disclosed
CN-1300280-A Process for the preparation of -alpha- (2, 3-dimethoxyphenyl) -1- [ 2- (4-fluorophenyl) ethyl ] -4-piperidinemethanol HOECHST PHARMA (US) 2001-06-20 CN disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
CN-1033043-C N-amide glucuromide glycoside antibiotic A40926 group and glycoside antibiotic A40926 LEPETIT SPA (IT) 1996-10-16 CN disclosed
CN-1095710-A Enzyme Inhibitors WELLCOME FOUND (GB) 1994-11-30 CN disclosed
CN-86108977-A N-amido glucuronide aglycone antibiotics A40926 family and aglycone antibiotics A40926 1988-04-27 CN disclosed