SCHEMBL17259

SCHEMBL17259

O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 3/20 0.56
HIF1A Q16665 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
GPR35 Q9HC97 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
GUSB P08236 1/20 0.50

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
SCHEMBL29430338 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
Methylene Chloride SCHEMBL29195092 0.95 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL23668294 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL31294301 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL1970447 0.85 KMT2A (0.67) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL3722506 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL1052777 0.81 KIF18A (0.64) ALDH1A1MAPK1TSHRSMN1; SMN2KIF18A
SCHEMBL1817485 0.81 HSD17B10 (0.60) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL30821752 0.81 KIF18A (0.64) ALDH1A1MAPK1TSHRSMN1; SMN2KIF18A
SCHEMBL31518627 0.81 HSD17B10 (0.60) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290324-A Benzo cyanine derivative for detecting selenocysteine Sec and preparation method and application thereof 海南医学院 2024-07-05 CN claimed
CN-118164911-A Fluorescent probe for detecting biological mercaptan and preparation method and application thereof 中国科学院烟台海岸带研究所 2024-06-11 CN claimed
US-20240158693-A1 Probe for Hydrogen Sulfide Detection, Method for Manufacturing Same, and Composition for Hydrogen Sulfide Detection, Comprising Same KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2024-05-16 US claimed
CN-115260182-B Thiazole coupling quinolyl phenol benzenesulfonate enhanced fluorescent probe for detecting hydrogen sulfide and preparation method and application thereof 南京林业大学 2024-04-19 CN claimed
CN-117860912-A Curcumin derivative nanometer therapeutic agent 南通大学 2024-04-12 CN claimed
CN-113278001-B Near-infrared selenocysteine fluorescent probe and preparation method and application thereof 中南大学 2024-04-05 CN claimed
CN-116444432-B H based on 1, 8-naphthalimide 2 S fluorescent probe and preparation method and application thereof 湖北南博生物工程有限公司 2024-04-05 CN claimed
CN-117567522-A Ferrocene-2, 4-dinitrobenzenesulfonyl chloride conjugate, preparation method and application 陕西科技大学 2024-02-20 CN claimed
CN-117567433-A Selenocysteine and viscosity double-lock mitochondrial localization near infrared fluorescent probe, preparation method and application 湖南科技学院 2024-02-20 CN claimed
CN-115894427-B Near-infrared frequency up-conversion fluorescent probe, preparation method thereof and application thereof in detection of biological mercaptan 赣南师范大学 2024-02-06 CN claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
EP-0957905-A4 PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES CHEM MASTER INTERNATIONAL INC (US) 2005-02-02 EP claimed
US-6258976-B1 COUPLING AN ISOCYANATE COMPOUND WITH AN AMINE CHEM-MASTER INTERNATIONAL, INC. 2001-07-10 US claimed
EP-0957905-A1 PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES Chem-Master International, Inc. (US) 1999-11-24 EP claimed
EP-0576228-B1 Process for preparing beta-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl-arylsulfonates LILLY CO ELI (US) 1999-02-03 EP claimed
WO-1998052552-A1 PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES CHEM-MASTER INTERNATIONAL, INC. (US) 1998-11-26 WO claimed
EP-0576228-A1 Process for preparing beta-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl-arylsulfonates ELI LILLY AND COMPANY (US) 1993-12-29 EP claimed
US-5252756-A Process for preparing beta-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl-arylsulfonates ELI LILLY AND COMPANY (US) 1993-10-12 US claimed
US-5066801-A PREPARATION OF SULFONIC ACID ESTERS CIBA-GEIGY CORPORATION (US) 1991-11-19 US claimed