SCHEMBL21028531

SCHEMBL21028531

CC1(C)c2ccccc2-c2cc(-c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.47
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
SMAD3 P84022 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 2/20 0.42

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
SCHEMBL22271220 1.00 PDK2 (0.47) PDK2THRBMEN1APAF1NPC1
SCHEMBL17931565 0.90 PDK2 (0.41) PDK2THRBMEN1APAF1NPC1
SCHEMBL17931564 0.90 PDK2 (0.41) PDK2THRBMEN1APAF1NPC1
SCHEMBL19141904 0.90 PDK2 (0.41) PDK2THRBMEN1APAF1NPC1
SCHEMBL16585704 0.90 PDK2 (0.41) PDK2THRBMEN1APAF1NPC1
SCHEMBL23697401 0.90 MEN1 (0.44) PDK2THRBMEN1APAF1NPC1
SCHEMBL17151700 0.90 MEN1 (0.44) PDK2THRBMEN1APAF1NPC1
SCHEMBL18878285 0.90 MEN1 (0.44) PDK2THRBMEN1APAF1NPC1
SCHEMBL17690134 0.90 PDK2 (0.41) PDK2THRBMEN1APAF1NPC1
SCHEMBL17887165 0.90 MEN1 (0.44) PDK2THRBMEN1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3522248-A1 LIGHT-EMITTING ELEMENT, AND COMPOSITION USEFUL FOR MANUFACTURING LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-08-07 EP disclosed
EP-3522247-A1 LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-08-07 EP disclosed
EP-3119767-B1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-10 EP disclosed
EP-3490019-A1 LIGHT-EMITTING ELEMENT Sumitomo Chemical Company Limited (JP) 2019-05-29 EP disclosed