Pyrene

Pyrene

SCHEMBL587317

C1=c2ccccc2=Cc2cccc3cccc1c23.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ TSHR P16473 6/20 0.52
▸ HPGD P15428 4/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP1A1 P04798 2/20 0.52
▸ CYP1B1 Q16678 2/20 0.52
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL26089 0.95 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Phenanthrene SCHEMBL23068724 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL4851698 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL21143529 0.73 ALDH1A1 (0.85) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL23831099 0.73 ALDH1A1 (0.85) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL1996138 0.73 ALDH1A1 (0.85) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1704742 0.72 ALDH1A1 (0.83) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL1332849 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL1650929 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL223412 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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-20160040121-A1 THERMALLY RESPONSIVE CELL CULTURE SURFACES INNOVATIVE SURFACE TECHNOLOGIES INC (US) 2016-02-11 — — US disclosed
EP-2416954-A1 OLED DEVICE CONTAINING A SILYL-FLUORANTHENE DERIVATIVE Global OLED Technology LLC (US) 2012-02-15 — — EP disclosed
WO-2010114838-A1 OLED DEVICE CONTAINING A SILYL-FLUORANTHENE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC (US) 2010-10-07 — — WO disclosed
EP-1955385-A2 ELECTROLUMINESCENT DEVICE CONTAINING A PHENANTHROLINE DERIVATIVE EASTMAN KODAK COMPANY (US) 2008-08-13 — — EP disclosed
WO-2007064484-A2 ELECTROLUMINESCENT DEVICE CONTAINING A PHENANTHROLINE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-06-07 — — WO disclosed
Send feedback