SCHEMBL15909653

SCHEMBL15909653

CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5cc(F)cc(F)c5)cc1c4c23

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
PDPK1 O15530 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM1A O60341 1/20 0.32
PDK2 Q15119 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MMP3 P08254 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
SCHEMBL15909674 0.91 HRH3 (0.37) PGRPDPK1CA1CA2PDK2
SCHEMBL15909667 0.91 CA1 (0.34) PGRPDPK1CA1CA2KDM1A
SCHEMBL15909634 0.91 CA1 (0.34) PGRPDPK1CA1CA2KDM1A
SCHEMBL15909822 0.91 CA1 (0.36) PGRPTGDR2PDPK1CA1CA2
SCHEMBL15909631 0.86 HRH3 (0.33) PGRPDPK1CA1CA2PDK2
SCHEMBL15909658 0.84 LIMK1 (0.32) PDPK1HRH3
SCHEMBL15909672 0.84 PDK2 (0.36) PGRCA1CA2PDK2HRH3
SCHEMBL15909816 0.84 PDK2 (0.41) PGRPDPK1CA1CA2PDK2
SCHEMBL15909675 0.83 FABP1 (0.40)
SCHEMBL15909792 0.83 PDK2 (0.36) PGRPDPK1CA1CA2KDM1A

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