SCHEMBL16436617

SCHEMBL16436617

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c4c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
ESR1 P03372 6/20 0.42
ESR2 Q92731 5/20 0.42
WHR1 P49842 1/20 0.37
NUDT1 P36639 2/20 0.35
ADORA2A P29274 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
PDK1 Q15118 1/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 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
SCHEMBL16436592 0.94 MEN1 (0.48) MEN1KMT2AATMESR1ESR2
SCHEMBL16436675 0.94 MEN1 (0.48) MEN1KMT2AATMESR1ESR2
SCHEMBL16436699 0.92 MEN1 (0.43) MEN1KMT2AATMESR1ESR2
SCHEMBL16436526 0.89 ESR1 (0.44) MEN1KMT2AATMESR1ESR2
SCHEMBL16436612 0.89 MEN1 (0.46) MEN1KMT2AATMWHR1NUDT1
SCHEMBL16436628 0.89 MEN1 (0.46) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL21664837 0.87 MEN1 (0.40) MEN1KMT2AATMESR1ESR2
SCHEMBL16436614 0.86 ACACA (0.46) MEN1KMT2AATMLMNAHSD17B10
SCHEMBL16436626 0.85 MEN1 (0.44) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL16436627 0.85 MEN1 (0.44) MEN1KMT2AATMWHR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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