SCHEMBL16144392

SCHEMBL16144392

Fc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccn4)c4cccc5ccccc45)ccc4ccc1c2c43

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
OPRK1 P41145 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16144469 0.92 NOS1 (0.30)
SCHEMBL16144483 0.87 ALDH1A1 (0.31) LMNAHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL13321005 0.87 ALDH1A1 (0.41) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL16144382 0.83 ALDH1A1 (0.31) TDP1ALDH1A1
SCHEMBL16144454 0.82 LMNA (0.31) LMNAMAPT
SCHEMBL2837145 0.82 MAOA (0.35) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL13320960 0.82 MAOA (0.35) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL15137929 0.82 ALDH1A1 (0.31) TDP1ALDH1A1HPGD
SCHEMBL16144421 0.80 MAOA (0.34) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL16484713 0.80 SIGMAR1 (0.41) KDM4ELMNAMAPTOPRK1HTT

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-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-9583718-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed
US-20140291646-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-02 US disclosed