SCHEMBL537205

SCHEMBL537205

O=C(OCBr)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
MAPK1 P28482 1/20 0.63
HIF1A Q16665 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
F2 P00734 1/20 0.58
TSHR P16473 2/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
HPGD P15428 1/20 0.56
PTPN1 P18031 1/20 0.54
GSK3B P49841 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 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
SCHEMBL31420198 0.98 TDP1 (0.63) TDP1MAPK1HIF1ASLC6A2SLC6A3
Bicarbonate SCHEMBL27655013 0.92 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
Bicarbonate SCHEMBL27655012 0.92 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28850685 0.90 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28174269 0.88 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28716126 0.87 ESR1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
Pyrrolidine SCHEMBL27926422 0.85 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL561869 0.85 TDP1 (0.70) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL17978153 0.84 LMNA (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28716128 0.84 TSHR (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176789-A Novel amidino-containing iNOS inhibitor with neuroprotection function, and preparation method and application thereof 中国药科大学 2024-12-24 CN claimed
CN-113956182-B HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2023-11-17 CN claimed
CN-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 CN claimed
CN-113956182-A HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2022-01-21 CN claimed
CN-112899688-A Guanidine-containing benzimidazole corrosion inhibitor and preparation method thereof 邓万菁 2021-06-04 CN claimed
CN-102234266-B Preparation and application of tetrahydrofolic acid ring-opened analogs with aziridine structure UNIV BEIJING 2013-12-18 CN claimed
US-20110091957-A1 PROTEIN-POLYMER CONJUGATES AND SYNTHESIS THEREOF PITTSBURGH, UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-21 US claimed
US-20070123646-A1 Protein-polymer conjugates and synthesis thereof PITTSBURGH, UNIVERSITY OF 2007-05-31 US claimed
CN-1275989-C Water-soluble poly-p-phenylene ethynylene and synthetic method UNIV FUDAN (CN) 2006-09-20 CN claimed
CN-1600796-A Water-soluble poly-p-phenylene ethynylene and synthetic method UNIV FUDAN (CN) 2005-03-30 CN claimed
US-6086764-A Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use CROSSWINDS, INC. (US) 2000-07-11 US claimed
EP-0884096-A1 Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use Crosswinds, Inc. (US) 1998-12-16 EP claimed
CN-119912442-A 2, 4-Disubstituted thiadiazole derivatives and their use as GLS1 inhibitors 四川大学华西医院 2025-05-02 CN disclosed
CN-119768881-A Method for producing a polymer capacitor, conductive polymer composition and use thereof as a conductive layer in an electronic component 爱克发-格法特公司 2025-04-04 CN disclosed
WO-2025038747-A1 MODIFIED THIOSTREPTON-INSPIRED COMPOUNDS FOR TREATMENT OF CANCER AND PREPARATION THEREOF RS ONCOLOGY, LLC (US) 2025-02-20 WO disclosed
CN-119176789-A Novel amidino-containing iNOS inhibitor with neuroprotection function, and preparation method and application thereof 中国药科大学 2024-12-24 CN disclosed
EP-0178775-B1 FLUORESCENT INDICATOR DYES FOR CALCIUM IONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-11-09 EP disclosed
US-4603209-A STILBENE-TYPE FLUOROPHORE, TWO AMINODIACETIC ACID MOIETIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-07-29 US disclosed
EP-0178775-A2 Fluorescent indicator dyes for calcium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-04-23 EP disclosed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 US disclosed