SCHEMBL15909627

SCHEMBL15909627

CC1(C)c2cccc3ccc4cc(-c5ccc(N(c6ccc(C#N)cc6)c6cccc7cccnc67)cc5)cc1c4c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
FABP1 P07148 1/20 0.36
GLO1 Q04760 2/20 0.34
PARP1 P09874 1/20 0.34
EGLN1 Q9GZT9 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC40A1 Q9NP59 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
PKM P14618 1/20 0.31
PDK2 Q15119 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL15909629 0.91 FABP1 (0.40) KDM4EFABP1GLO1PARP1EGLN1
SCHEMBL15909620 0.91 FABP1 (0.40) KDM4EFABP1GLO1PARP1EGLN1
SCHEMBL15909640 0.89 FABP1 (0.31) FABP1
SCHEMBL15909669 0.86 LIMK1 (0.34) KDM4EFABP1
SCHEMBL15909675 0.86 FABP1 (0.40) KDM4EFABP1GLO1PARP1SLC40A1
SCHEMBL15909621 0.86 PARP1 (0.32) KDM4EFABP1PARP1PDK2HRH3
SCHEMBL15909634 0.84 CA1 (0.34) KDM4EPDK2HRH3
SCHEMBL15909667 0.84 CA1 (0.34) KDM4EPDK2HRH3
SCHEMBL15909665 0.84 HRH3 (0.35) PARP1PDK2HRH3
SCHEMBL17849647 0.84 MYC (0.37) KDM4EPARP1PDK2HRH3

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