SCHEMBL17454740

SCHEMBL17454740

CC1(C)c2ccccc2-c2cc(Nc3ccc(-c4cccc(-c5ccccc5Nc5ccccc5)c4)cc3-c3ccccc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
RECQL P46063 1/20 0.31
ALK Q9UM73 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 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
SCHEMBL17533320 0.97 SIRT2 (0.34) PDK2SIRT2SIRT1MYCMAX
SCHEMBL17759868 0.91 PDK2 (0.36) PDK2MEN1MAPTKMT2ATDP1
SCHEMBL14681411 0.89 PDK2 (0.37) PDK2MYCMAXFABP3FABP4
SCHEMBL30132954 0.88 FABP3 (0.39) PDK2MYCMAXFABP3FABP4
SCHEMBL15892493 0.88 FABP3 (0.39) PDK2MYCMAXFABP3FABP4
SCHEMBL25124742 0.88 PDK2 (0.37) PDK2MAPTKDM4EALOX15HSD17B10
SCHEMBL17759560 0.88 ALDH1A1 (0.43) PDK2MEN1MAPTKMT2AKDM4E
SCHEMBL24969161 0.87 PDK2 (0.38) PDK2MYCMAXFABP3FABP4
SCHEMBL17468822 0.86 PDK2 (0.40) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL17759698 0.86 PDK2 (0.39) PDK2SIRT2SIRT1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016010402-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-21 WO disclosed