SCHEMBL17227656

SCHEMBL17227656

c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.42
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35

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
SCHEMBL13774975 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL26851087 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL15183516 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL15138632 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL30864173 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL21922943 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL22181820 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL21922881 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL21922872 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E
SCHEMBL19229421 1.00 PDK2 (0.42) PDK2MAPTL3MBTL1TDP1KDM4E

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-20150318486-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-05 US disclosed
US-20150318486-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-05 US disclosed