SCHEMBL16436612

SCHEMBL16436612

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)nc(-c5ccc(-c6nc7ccccc7c7ccccc67)cc5)c4c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
WHR1 P49842 1/20 0.38
NUDT1 P36639 2/20 0.36
DHODH Q02127 2/20 0.36
ADORA2A P29274 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL16436665 0.94 MEN1 (0.49) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436579 0.94 MEN1 (0.49) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436692 0.93 MEN1 (0.45) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436628 0.90 MEN1 (0.46) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL16436520 0.89 MEN1 (0.42) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436617 0.89 MEN1 (0.45) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436614 0.87 ACACA (0.46) MEN1KMT2AATMDHODHHSD17B10
SCHEMBL16436626 0.86 MEN1 (0.44) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL16436627 0.86 MEN1 (0.44) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL16436710 0.86 MEN1 (0.48) MEN1KMT2AATMWHR1NUDT1

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
EP-2842954-B1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME, AND DISPLAY DEVICE CONTAINING SAID ORGANIC LIGHT EMITTING DEVICE SAMSUNG SDI CO LTD (KR) 2020-02-05 EP disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed