SCHEMBL2807430

SCHEMBL2807430

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
CYP11B2 P19099 2/20 0.46
PTGS2 P35354 5/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL76484 0.84 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL29416717 0.84 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4826058 0.82 CYP19A1 (0.52) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL2322371 0.79 ESR1 (0.58) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL1103125 0.79 CYP19A1 (0.46) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4828637 0.78 ESR1 (0.49) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL4828631 0.78 ESR1 (0.49) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13697100 0.78 CYP19A1 (0.47) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL21241626 0.77 KDM4E (0.39) ESR1ESR2TDP1MAPTKDM4E
Triphenylene SCHEMBL28978119 0.77 CYP19A1 (0.57) CYP19A1CYP11B2PTGS2ESR1ESR2

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
US-20190058132-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-02-21 US disclosed
US-8564048-B2 Contact barrier modulation of field effect transistors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-10-22 US disclosed
US-20120256175-A1 NANOTUBE ENABLED, GATE-VOLTAGE CONTROLLED LIGHT EMITTING DIODES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-10-11 US disclosed
US-8232561-B2 Nanotube enabled, gate-voltage controlled light emitting diodes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-07-31 US disclosed
US-20100237336-A1 NANOTUBE ENABLED, GATE-VOLTAGE CONTROLLED LIGHT EMITTING DIODES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-23 US disclosed
CN-1937277-A Organic electroluminescent white light device UNIV TSINGHUA (CN) 2007-03-28 CN disclosed