SCHEMBL449348

SCHEMBL449348

Clc1ccc2ccccc2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 1.00
CYP1A2 P05177 5/20 0.56
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 1/20 0.50
PAX8 Q06710 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
APEX1 P27695 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
Ammonia Solution, Strong SCHEMBL11476794 0.97 CYP2A6 (0.95) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL8268910 0.91 CYP2A6 (0.83) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
Bicarbonate SCHEMBL29056749 0.89 CYP2A6 (0.79) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL2565166 0.88 CYP2A6 (0.78) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL9765602 0.81 CYP2A6 (0.67) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5673224 0.79 CYP2A6 (0.65) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL687156 0.78 CYP2A6 (0.64) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5027727 0.77 CYP2A6 (0.61) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL1755226 0.75 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL9720422 0.75 CYP2A6 (0.60) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930400-A Synthesis method of 1, 2-dichloro naphthalene 阿里生物新材料(常州)有限公司 2024-11-12 CN claimed
CN-118459700-A Preparation method and application of thiazole/pyrazinyl condensed ring acceptor and trapezoidal conjugated polymer semiconductor material thereof 湘潭大学 2024-08-09 CN claimed
CN-115594827-B Difluoro-substituted indacenone-containing N-type polymer semiconductor material and preparation method and application thereof 湘潭大学 2024-07-09 CN claimed
CN-117986541-A Crosslinkable hole-transporting polymer based on N, N-diphenyl-4-vinylaniline and application thereof in device 华南协同创新研究院 2024-05-07 CN claimed
CN-117924703-A Method for preparing cross-linked polyphenylene sulfide 浙江大学 2024-04-26 CN claimed
CN-117843997-A Polyphenylene sulfide resin particles and method for producing the same 浙江新和成特种材料有限公司 2024-04-09 CN claimed
CN-115260496-B Process for producing polyarylene sulfide resin, and product and use thereof 浙江新和成特种材料有限公司 2024-03-29 CN claimed
WO-2024021816-A1 POLY(ARYLENE SULFIDE) RESIN MANUFACTURING PROCESS, PRODUCT THEREOF, AND APPLICATION THEREOF 浙江大学 2024-02-01 WO claimed
CN-117229482-A N-type polymer semiconductor material containing acenaphthoquinone imide and preparation method and application thereof 湘潭大学 2023-12-15 CN claimed
CN-115867064-A Quantum dot light-emitting diode, preparation method thereof and photoelectric device TCL科技集团股份有限公司 2023-03-28 CN claimed
CN-1014423-B SERIES OF FUEL COMBUSTION IMPROVING AGENT FOR DIESEL ENGINE FUEL UNIV TIANJIN (CN) 1991-10-23 CN claimed
US-4845190-A Process for preparing polyarylene sulfides with recovery of carboxylic acid TOSOH CORPORATION (JP) 1989-07-04 US claimed
CN-1031104-A SERIES OF FUEL COMBUSTION IMPROVING AGENT FOR DIESEL ENGINE FUEL UNIV TIANJIN (CN) 1989-02-15 CN claimed
EP-0275687-A2 Process for preparing polyarylene sulfides Tosoh Corporation (JP) 1988-07-27 EP claimed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP claimed
EP-0261988-A2 Aromatic sulphide amide polymers and a process for the production thereof Tosoh Corporation (JP) 1988-03-30 EP claimed
US-4487713-A HEAT TREATMENT WITH TITANIUM, TIN, ANTIMONY OR ZIRCONIUM COMPOUND EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-11 US claimed
US-4242282-A OXIDATION OF ETHYLENE GLYCOL, SILVER CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1980-12-30 US claimed
US-4117004-A MANUFACTURE OF AMIDOSULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
US-4104298-A FROM SULFAMIC ACIDS AND PHOSPHORUS PENTAHALIDES BASF AKTIENGESELLSCHAFT (DE) 1978-08-01 US claimed