SCHEMBL9936355

SCHEMBL9936355

CC(N(C)C)C1(C(C)N(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTPRC P08575 1/20 0.32
S100A4 P26447 1/20 0.32
TDP2 O95551 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PYCR1 P32322 1/20 0.31
KDM1A O60341 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
SCHEMBL1921752 0.80 PDK2 (0.41) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL29294772 0.77 PDK2 (0.39) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL1920760 0.74 PDK2 (0.37) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL1921507 0.73 PDK2 (0.50) PDK2PTPRCMAPTKMT2AMEN1
SCHEMBL13387154 0.72 PDK2 (0.41) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL5504621 0.71 PDK2 (0.38) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL29294785 0.71 PDK2 (0.35) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL25901945 0.71 PDK2 (0.40) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL15837021 0.69 PDK2 (0.46) PDK2AKR1A1AKR1B1PTPRCS100A4
SCHEMBL17430723 0.69 PDK2 (0.44) PDK2AKR1A1AKR1B1PTPRCS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240081144-A1 A METHOD FOR MANUFACTURING A COMPOSITION FOR USE AS A TRANSPORT MATERIAL OF A DEVICE, A COMPOSITION OBTAINED BY SUCH A METHOD, A TRANSPORT LAYER COMPRISING SUCH A COMPOSITION, AND AN ELECTRONIC DEVICE COMPRISING SUCH A TRANSPORT LAYER LINXOLE AB (SE) 2024-03-07 US disclosed
EP-4292145-A1 A METHOD FOR MANUFACTURING A COMPOSITION FOR USE AS A TRANSPORT MATERIAL OF A DEVICE, A COMPOSITION OBTAINED BY SUCH A METHOD, A TRANSPORT LAYER COMPRISING SUCH A COMPOSITION, AND AN ELECTRONIC DEVICE COMPRISING SUCH A TRANSPORT LAYER Linxole AB (SE) 2023-12-20 EP disclosed
US-9755151-B2 Organic semiconductors CAMBRIDGE ENTERPRISE LIMITED (US) 2017-09-05 US disclosed
US-20130313544-A1 ORGANIC SEMICONDUCTORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-11-28 US disclosed
WO-2012080750-A1 ORGANIC SEMICONDUCTORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-06-21 WO disclosed