SCHEMBL486927

SCHEMBL486927

Cc1cccc2ccccc12.[NaH]

nearest known ligand 0.94

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.94
ALDH1A1 P00352 5/20 0.94
CYP1A2 P05177 9/20 0.63
HSD17B10 Q99714 5/20 0.61
HPGD P15428 4/20 0.61
TSHR P16473 6/20 0.54
TDP1 Q9NUW8 2/20 0.50
ACHE P22303 1/20 0.47
CYP3A4 P08684 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 1/20 0.46
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL10684163 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL3075 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL7517852 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL29903166 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL7539708 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Naphthalene SCHEMBL3447588 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL14953945 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Hydrochloric Acid SCHEMBL6705962 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL21796071 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
O-Xylene SCHEMBL7050723 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119955294-A Thermal response type capacity recovery material, preparation method thereof and secondary battery 北京希倍动力科技有限公司 2025-05-09 CN claimed
CN-119875013-A Liquid styrene-butadiene rubber and preparation method and application thereof 中国石油天然气股份有限公司 2025-04-25 CN claimed
CN-119775491-A Nitrile rubber and preparation method and application thereof 中国石油天然气股份有限公司 2025-04-08 CN claimed
CN-116478559-B High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2024-10-11 CN claimed
CN-116478559-A High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2023-07-25 CN claimed
CN-115433376-A Preparation method of long-acting disinfection and sterilization fabric or fiber 孙国明 2022-12-06 CN claimed
CN-115117469-A Alkali metal fluoride/carbon composite material and preparation and application thereof 华中科技大学 2022-09-27 CN claimed
CN-113530242-B Environment-friendly waterproof heat-preservation construction method 湖北淇源新材料科技有限公司 2022-05-10 CN claimed
CN-114097794-A Synergistic composition containing pyrazole amide compounds 山东省联合农药工业有限公司 2022-03-01 CN claimed
CN-108525514-A A kind of sulfur resistive water resistant dedusting denitration demercuration multifunctional filter material and preparation method thereof 南京信息工程大学 2018-09-14 CN claimed
CN-102438610-A Novel dosage forms of diclofenac ICEUTICA PTY LTD 2012-05-02 CN claimed
CN-1974621-A Modified rubber powder and its prepn and use WUHNA ENGINEERING UNIV (CN) 2007-06-06 CN claimed
EP-0107407-B1 EMULSION EXPLOSIVE COMPOSITION CIL INC (CA) 1988-12-21 EP claimed
EP-0028884-B1 SLURRY EXPLOSIVE COMPOSITION AND A METHOD FOR THE PREPARATION THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-15 EP claimed
EP-0025642-B1 COMMINUTED CRYSTALLINE MATERIAL, AQUEOUS SUSPENSIONS THEREOF AND METHODS FOR THE PREPARATION OF SAID COMMINUTED MATERIAL AND SAID SUSPENSIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-25 EP claimed
US-4384903-A AMMONIUM NITRATE, A CRYSTAL GROWTH INHIBITOR SURFACTANT, A HYDROCARBON FUEL SENSITIZER IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-24 US claimed
US-4367104-A Finely comminuted water-soluble materials and aqueous suspensions thereof IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-01-04 US claimed
US-4326976-A ANTICAKING PARTICLES WITH AN ARYL SULFONATE AND A MAGNESIUM COMPOUND OR AN ALUMINA OR SILICA COMPOUND INTEROX (BE) 1982-04-27 US claimed
EP-0028884-A2 Slurry explosive composition and a method for the preparation thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP claimed
EP-0025642-A2 Comminuted crystalline material, aqueous suspensions thereof and methods for the preparation of said comminuted material and said suspensions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-03-25 EP claimed