Pyrene

Pyrene

SCHEMBL9340936

O=S(=O)(Cl)Cl.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HSD17B10 Q99714 5/20 0.65
CYP3A4 P08684 4/20 0.65
TSHR P16473 4/20 0.65
HPGD P15428 4/20 0.65
CYP1A2 P05177 3/20 0.65
CYP1A1 P04798 2/20 0.65
CYP1B1 Q16678 2/20 0.65
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
MCL1 Q07820 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PABPC1 P11940 1/20 0.41
DNMT1 P26358 1/20 0.41
CASP1 P29466 1/20 0.41

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
Pyrene SCHEMBL5720270 0.82 ALDH1A1 (0.65) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL9130 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL1332849 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL1650929 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL223412 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL29429699 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL28182630 0.78 ALDH1A1 (0.79) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Pyrene SCHEMBL2001417 0.78 ALDH1A1 (0.79) ALDH1A1HSD17B10CYP3A4TSHRHPGD
Naphthalene SCHEMBL260764 0.78 CYP2A6 (0.57) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL5917217 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4TSHRHPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098852-B Di (2-methylpyridine) amine modified pyrene derivative fluorescent probe and synthetic method and application thereof 陕西师范大学 2020-04-24 CN claimed
CN-104232077-A Monopyrene fluorescent probe based on cholesterol modification, and synthesis method and application thereof UNIV SHAANXI NORMAL 2014-12-24 CN claimed
CN-102634334-A Pyrene-dicholesterol-containing fluorescent probe, as well as synthetic method and application thereof UNIV SHAANXI NORMAL 2012-08-15 CN claimed
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP claimed
US-5118802-A DNA-reporter conjugates linked via the 2' or 5'-primary amino group of the 5'-terminal nucleoside CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US claimed
EP-0270651-A4 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1989-03-29 EP claimed
EP-0270651-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1988-06-15 EP claimed
WO-1988000201-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY, INC. (US) 1988-01-14 WO claimed
CN-107098852-B Di (2-methylpyridine) amine modified pyrene derivative fluorescent probe and synthetic method and application thereof 陕西师范大学 2020-04-24 CN disclosed
CN-104232077-A Monopyrene fluorescent probe based on cholesterol modification, and synthesis method and application thereof UNIV SHAANXI NORMAL 2014-12-24 CN disclosed
CN-102634334-B Pyrene-dicholesterol-containing fluorescent probe, as well as synthetic method and application thereof UNIV SHAANXI NORMAL 2014-12-10 CN disclosed
CN-102634334-A Pyrene-dicholesterol-containing fluorescent probe, as well as synthetic method and application thereof UNIV SHAANXI NORMAL 2012-08-15 CN disclosed
EP-0270651-B1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INST OF TECHN (US) 1994-06-15 EP disclosed
US-5118800-A Oligonucleotides possessing a primary amino group in the terminal nucleotide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US disclosed
US-5118802-A DNA-reporter conjugates linked via the 2' or 5'-primary amino group of the 5'-terminal nucleoside CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1992-06-02 US disclosed
US-5015733-A Phosphoramidites and oligonucleotides derived therefrom CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1991-05-14 US disclosed
US-4849513-A Deoxyribonucleoside phosphoramidites in which an aliphatic amino group is attached to the sugar ring and their use for the preparation of oligonucleotides containing aliphatic amino groups CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1989-07-18 US disclosed
EP-0270651-A4 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1989-03-29 EP disclosed
EP-0270651-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES. CALIFORNIA INST OF TECHN (US) 1988-06-15 EP disclosed
WO-1988000201-A1 NOVEL DEOXYRIBONUCLEOSIDE PHOSPHORAMIDITES AND THEIR USE FOR THE PREPARATION OF OLIGONUCLEOTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY, INC. (US) 1988-01-14 WO disclosed