SCHEMBL2646

SCHEMBL2646

[S]c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
HSD17B10 Q99714 6/20 0.53
CYP2A6 P11509 4/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 6/20 0.48
HPGD P15428 4/20 0.48
CYP3A4 P08684 3/20 0.48
KEAP1 Q14145 1/20 0.48
HPRT1 P00492 1/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 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
Fluoride SCHEMBL6276619 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL158259 0.85 HPRT1 (0.67) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1610741 0.79 HSD17B10 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8358923 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL129325 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL6443221 0.74 IFNAR1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4377802 0.70 ALDH1A1 (0.85) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.70 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.70 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.70 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 12871 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN claimed
CN-118126082-A Chiral phosphorus compound and preparation method and application thereof 四川大学 2024-06-04 CN claimed
CN-114585604-B Dicarboxylic acid compounds, inorganic particles and compositions thereof treated with dicarboxylic acid compounds 3M创新有限公司 2024-02-02 CN claimed
CN-117466813-A Meta-aminobenzoic acid bisamide compound and intermediate thereof 湖南化工研究院有限公司 2024-01-30 CN claimed
US-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-21 US claimed
US-20230278994-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 US claimed
CN-113711113-B Optical material, polymerizable composition for optical material, plastic lens, goggles, infrared sensor, and infrared camera 三井化学株式会社 2023-07-28 CN claimed
WO-2023099445-A1 BIS(HETERO)ARYL THIOETHER OXADIAZINES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-08 WO claimed
CN-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 CN claimed
EP-4161906-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 EP claimed
US-4146541-A YELLOW SHADE ON POLYESTERS CIBA-GEIGY AG (CH) 1979-03-27 US claimed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US claimed
US-RE29577-E Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US claimed
US-4073930-A Carbamoyloximes and oximes and insecticidal and miticidal compositions and methods employing them UNION CARBIDE CORPORATION (US) 1978-02-14 US claimed
US-4062845-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1977-12-13 US claimed
US-3985885-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US claimed
US-3966715-A 1,2,4-TRIAZINE-5-ONES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-3963763-A Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 US claimed
US-3950340-A POLYESTERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-04-13 US claimed
US-3930866-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US claimed