SCHEMBL24828

SCHEMBL24828

c1ccc2c(c1)[N]c1ccccc1S2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
BACE1 P56817 1/20 0.42
MAPT P10636 4/20 0.42
BCHE P06276 3/20 0.42
GAA P10253 3/20 0.42
NOX1 Q9Y5S8 3/20 0.42
MAOA P21397 2/20 0.42
ACHE P22303 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL2088013 0.81 BCHE (0.49) TRPA1MAPTBCHENOX1ACHE
SCHEMBL3869329 0.81 TRPA1 (0.40) TRPA1BACE1BCHEMAOASLC6A2
SCHEMBL2511192 0.79 TRPA1 (0.42) TRPA1BACE1MAPTBCHEGAA
SCHEMBL8834254 0.79 TRPA1 (0.42) TRPA1BACE1MAPTBCHEGAA
SCHEMBL334804 0.79 TRPA1 (0.42) TRPA1BACE1MAPTBCHEGAA
SCHEMBL4423528 0.79 CYBB (0.51) TRPA1MAPTGAANOX1SLC6A2
SCHEMBL8113430 0.78 TRPA1 (0.41) TRPA1BACE1MAPTBCHEGAA
SCHEMBL11019054 0.77 CYP2D6 (0.40) TRPA1MAPTGAACYP1A2L3MBTL1
SCHEMBL2748095 0.77 CYBB (0.57) MAPTGAANOX1SLC6A2HTR2C
SCHEMBL5600601 0.76 TRPA1 (0.40) TRPA1BACE1MAPTBCHEGAA

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 2446 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447452-A Charge transport material, compound, delayed fluorescence material, and organic light-emitting element 九州有机光材股份有限公司 2024-01-26 CN claimed
CN-115947760-A Pinene pyrimidine tetradentate platinum (II) and palladium (II) complex and preparation method and application thereof 南京邮电大学 2023-04-11 CN claimed
CN-115850346-A Pinene pyridazine tetradentate platinum (II) and palladium (II) complex based on intramolecular hydrogen bond, and preparation method and application thereof 南京邮电大学 2023-03-28 CN claimed
CN-115716852-A Sulfur-phosphorus heterocyclic receptor and nitrogen-containing heterocyclic donor compound, and synthesis method and application thereof 黑龙江大学 2023-02-28 CN claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-114573507-A Thermal activation delayed fluorescent material based on axial chiral ketone receptor and preparation method and application thereof 中国科学院大学 2022-06-03 CN claimed
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN claimed
CN-112390811-B Dithia-anthrone derivative and preparation method and application thereof 中国科学院理化技术研究所 2022-03-04 CN claimed
CN-114057711-A Anthracene ketone spiro derivative and preparation method and application thereof 中国科学院理化技术研究所 2022-02-18 CN claimed
CN-113861265-A Short peptide modified thermal activation delayed fluorescence material and preparation method and application thereof 北京城市学院 2021-12-31 CN claimed
EP-0453197-B1 Amine derivatives ICI PLC (GB) 1994-06-15 EP claimed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP claimed
EP-0453197-A1 Amine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP claimed
EP-0275449-B1 RUBBER COMPOSITIONS CONTAINING AMINE DERIVATIVES OF 1,3,4,-THIADIAZOLE R.T. VANDERBILT COMPANY, INC. (US) 1991-03-13 EP claimed
EP-0275449-A1 Rubber compositions containing amine derivatives of 1,3,4,-thiadiazole R.T. VANDERBILT COMPANY, INC. (US) 1988-07-27 EP claimed
US-4704426-A STABILIZERS AGAINST OXIDATION AND METAL CORROSION R. T. VANDERBILT COMPANY, INC. (US) 1987-11-03 US claimed
EP-0006693-A1 N-substituted trialkylstannylhydrocarbylcarboxylic acid hydrazides, methods of their preparation and insecticide compositions containing them UNIROYAL, INC. (US) 1980-01-09 EP claimed
US-4178382-A INSECTICIDE FOR COTTON UNIROYAL, INC. (US) 1979-12-11 US claimed
US-3957726-A S-TRIAZINE-IMIDE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1976-05-18 US claimed
US-3946011-A S-Triazine tetracarboxylic acids and dianhydrides CIBA-GEIGY CORPORATION (US) 1976-03-23 US claimed