SCHEMBL1679559

SCHEMBL1679559

CNc1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MCL1 Q07820 1/20 0.47
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL28204647 0.98 RAPGEF4 (0.50) RAPGEF4MEN1KMT2APOLBTP53
SCHEMBL3780224 0.82 GAA (0.53) RAPGEF4MEN1KMT2APOLBTP53
SCHEMBL13619206 0.81 RAPGEF4 (0.48) RAPGEF4MEN1KMT2APOLBTP53
SCHEMBL989608 0.80 ALDH1A1 (0.52) TP53ALDH1A1GAAMCL1KDM4E
SCHEMBL2681031 0.79 MEN1 (0.54) RAPGEF4MEN1KMT2APOLBTP53
SCHEMBL9232234 0.78 RAPGEF4 (0.57) RAPGEF4POLBALDH1A1GAAKDM4E
SCHEMBL3786506 0.78 ALDH1A1 (0.37) RAPGEF4MEN1KMT2AALDH1A1GAA
SCHEMBL30122263 0.78 PDK1 (0.45) RAPGEF4MEN1KMT2AALDH1A1GAA
SCHEMBL9231470 0.78 GAA (0.46) RAPGEF4KMT2AALDH1A1GAAKDM4E
SCHEMBL12321558 0.78 PDK1 (0.45) RAPGEF4MEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
WO-2020163960-A1 CELLULOSE-BASED SEPARATORS COMPRISING FLAME RETARDANT, AND USES THEREOF IN ELECTROCHEMISTRY HYDRO-QUéBEC (CA) 2020-08-20 WO disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
CN-110343089-A Benzimidazole derivative and pharmaceutical use thereof 上海美悦生物科技发展有限公司 2019-10-18 CN disclosed
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN disclosed
EP-3438089-A1 PROCESSES FOR THE DIAZOTIZATION OF 2,5-DICHLOROANILINES Monsanto Technology LLC (US) 2019-02-06 EP disclosed
CN-108137581-A novel imidazo [4,5-b ] pyridine derivatives as dual DYRK1/C L K1 inhibitors 法国施维雅药厂 2018-06-08 CN disclosed
EP-2311816-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2139874-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-01-06 EP disclosed
WO-2008126665-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-4683308-A Process for the preparation of 2-arylamino-4,6-dichloro-s-triazines BAYER AKTIENGESELLSCHAFT (DE) 1987-07-28 US disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4089672-A HERBICIDES THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed