SCHEMBL15945840

SCHEMBL15945840

Cc1ccc2c(c1)C(C)(C)c1c(F)cc3cc4c5c(c(F)cc6cc-2c1c3c65)C(C)(C)c1cc(C(F)(F)F)ccc1-4

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
KIF11 P52732 2/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP11B2 P19099 1/20 0.32
PGR P06401 2/20 0.32
ALK Q9UM73 1/20 0.31
ESR1 P03372 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
MPL P40238 1/20 0.30

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
SCHEMBL15947785 0.94 CYP11B2 (0.34) CYP11B2PGRALKESR1NR3C1
SCHEMBL15945815 0.81 PDK2 (0.37) PDK2KIF11ALK
SCHEMBL15947786 0.73 TDP2 (0.34) ALKMPL
SCHEMBL10057836 0.68 PDK2 (0.37) PDK2KIF11HCRTR1HCRTR2
SCHEMBL13326299 0.67 PDK2 (0.45) PDK2KIF11
SCHEMBL12295377 0.66 PDK2 (0.45) PDK2KIF11NFE2L2
SCHEMBL22780261 0.66 TSHR (0.45) PDK2
SCHEMBL27436838 0.66 HTR2B (0.40) PDK2CYP11B2ALK
SCHEMBL20779079 0.65 PDK2 (0.46) PDK2KIF11NFE2L2
SCHEMBL4368315 0.65 PDK2 (0.46) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 US disclosed
US-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 US disclosed