Pyrene

Pyrene

SCHEMBL8319704

N#CC(C#N)=C(C#N)C#N.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ HPGD P15428 5/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ TSHR P16473 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP1A1 P04798 2/20 0.58
▸ CYP1B1 Q16678 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MCL1 Q07820 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ AHR P35869 1/20 0.37

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
SCHEMBL8320177 0.85 MCL1 (0.53) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Naphthalene SCHEMBL8323753 0.80 CYP2A6 (0.50) ALDH1A1HSD17B10TSHRCYP1A2KDM4E
Pyrene SCHEMBL29719339 0.80 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Pyrene SCHEMBL28838552 0.80 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Pyrene SCHEMBL27610810 0.80 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Pyrene SCHEMBL1275551 0.80 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL9483047 0.78 GUSB (0.42) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Pyrene SCHEMBL28959431 0.78 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Pyrene SCHEMBL28241464 0.78 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL11647762 0.77 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896610-B Photothermal conversion eutectic material containing pyrene and preparation method thereof 汕头大学 2024-02-23 — — CN disclosed
CN-113896610-A Pyrene-containing photo-thermal conversion eutectic material and preparation method thereof 汕头大学 2022-01-07 — — CN disclosed
US-5943154-A MULTILAYER LIGHT CONTROL ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1999-08-24 — — US disclosed
EP-0450862-B1 Organic thin film element TOSHIBA KK (JP) 1999-06-30 — — EP disclosed
US-5155566-A ORGANIC THIN FILM ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-10-13 — — US disclosed
EP-0450862-A2 Organic thin film element KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 — — EP disclosed
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