Pyrene

Pyrene

SCHEMBL4854420

CCC(Br)(CC)C(=O)NC(N)=O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A1 P04798 1/20 0.34
TSHR P16473 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PARP1 P09874 2/20 0.34
GAA P10253 2/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
MTOR P42345 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
Carbromal SCHEMBL2139358 0.89 NR3C1 (0.40) KMT2AMEN1ALDH1A1KDM4ENR3C1
Anthracene SCHEMBL1711430 0.87 NR3C1 (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
Carbromal SCHEMBL10826028 0.87 NR3C1 (0.39) KMT2AMEN1ALDH1A1KDM4ENR3C1
Carbromal SCHEMBL8536554 0.83 CRBN (0.36) NR3C1HDAC1HDAC7HDAC8HDAC6
Carbromal SCHEMBL4351621 0.83 CRBN (0.39) MAPTNR3C1
Carbromal SCHEMBL261 0.83 CRBN (0.39) MAPTNR3C1
Carbromal SCHEMBL15057476 0.83 CRBN (0.39) MAPTNR3C1
Carbromal SCHEMBL23051626 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTNR3C1CYP3A4
Carbromal SCHEMBL609307 0.81 CRBN (0.37) MAPTNR3C1
Carbromal SCHEMBL8429924 0.81 CRBN (0.37) MAPTNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410702-B2 Hole transport polymers and devices made with such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-12 US disclosed
US-7402342-B2 Hole transport polymers and devices made with such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-7205366-B2 Hole transport polymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-17 US disclosed
CN-1646660-A Hole transport polymers and devices made with such polymers DU PONT (US) 2005-07-27 CN disclosed
US-20050131185-A1 Hole transport polymers and devices made with such polymers JAYCOX GARY D (US) 2005-06-16 US disclosed
US-20050124732-A1 Hole transport polymers and devices made with such polymers JAYCOX GARY D (US) 2005-06-09 US disclosed
EP-1492855-A2 HOLE TRANSPORT POLYMERS AND DEVICES MADE WITH SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-01-05 EP disclosed
US-20030225234-A1 Hole transport polymers and devices made with such polymers LG CHEM, LTD. (KR) 2003-12-04 US disclosed
WO-2003086026-A2 HOLE TRANSPORT POLYMERS AND DEVICES MADE WITH SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-16 WO disclosed