SCHEMBL15909665

SCHEMBL15909665

CC1(C)c2cccc3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.35
PDK2 Q15119 1/20 0.35
MYC P01106 1/20 0.34
SCN9A Q15858 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PGR P06401 4/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A3 P47895 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL17849647 0.98 MYC (0.37) HRH3PDK2MYCSCN9APTGDR2
SCHEMBL15909636 0.95 HRH3 (0.35) HRH3PDK2MYCSCN9APTGDR2
SCHEMBL15909625 0.94 HRH3 (0.37) HRH3PDK2MYCSCN9AGABRA1
SCHEMBL15909635 0.94 HRH3 (0.36) HRH3PDK2MYCSCN9AGABRA1
SCHEMBL15909652 0.93 MYC (0.39) HRH3PDK2MYCSCN9APTGDR2
SCHEMBL13888806 0.91 LPL (0.34)
SCHEMBL13888803 0.91 LPL (0.34)
SCHEMBL13888804 0.91 LPL (0.34)
SCHEMBL17849608 0.91 LPL (0.34)
SCHEMBL15909622 0.90 PDK2 (0.40) HRH3PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed