Pyrene

Pyrene

SCHEMBL789426

OBOBO.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ HSD17B10 Q99714 5/20 0.58
▸ HPGD P15428 5/20 0.58
▸ TSHR P16473 4/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP1A1 P04798 2/20 0.58
▸ CYP1B1 Q16678 2/20 0.58
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ 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
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36

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 SCHEMBL717394 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL789425 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL1332849 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL29429699 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL1650929 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL9130 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL223412 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Anthracene SCHEMBL25336969 0.76 CYP1A2 (0.40) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
Pyrene SCHEMBL1829255 0.74 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDTSHRCYP1A2
Pyrene SCHEMBL28304707 0.74 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213800-B2 Covalent organic framework films, and methods of making and uses of same CORNELL UNIVERSITY (US) 2022-01-04 — — US disclosed
US-20140148596-A1 Covalent Organic Frameworks and Methods of Making Same CORNELL UNIVERSITY (US) 2014-05-29 — — US disclosed
US-20140037944-A1 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2014-02-06 — — US disclosed
WO-2012037090-A2 COVALENT ORGANIC FRAMEWORK FILMS, AND METHODS OF MAKING AND USES OF SAME CORNELL UNIVERSITY (US) 2012-03-22 — — WO disclosed
WO-2011127301-A2 COVALENT ORGANIC FRAMEWORKS AND METHODS OF MAKING SAME CORNELL UNIVERSITY (US) 2011-10-13 — — WO disclosed
Send feedback