SCHEMBL16436699

SCHEMBL16436699

c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)c3ccccc3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ESR1 P03372 7/20 0.40
ESR2 Q92731 6/20 0.40
WHR1 P49842 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL21664837 0.95 MEN1 (0.40) MEN1KMT2AATMESR1ESR2
SCHEMBL16436617 0.92 MEN1 (0.45) MEN1KMT2AATMESR1ESR2
SCHEMBL16436526 0.91 ESR1 (0.44) MEN1KMT2AATMESR1ESR2
SCHEMBL16436675 0.90 MEN1 (0.48) MEN1KMT2AATMESR1ESR2
SCHEMBL16436592 0.90 MEN1 (0.48) MEN1KMT2AATMESR1ESR2
SCHEMBL16436692 0.90 MEN1 (0.45) MEN1KMT2AATMWHR1KDM4E
SCHEMBL16436710 0.89 MEN1 (0.48) MEN1KMT2AATMWHR1ALDH1A1
SCHEMBL16436864 0.85 MEN1 (0.43) MEN1KMT2AATMWHR1KDM4E
SCHEMBL16436708 0.85 MEN1 (0.43) MEN1KMT2AATMWHR1KDM4E
SCHEMBL16436477 0.85 MEN1 (0.37) MEN1KMT2AATMESR1ESR2

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