SCHEMBL4403113

SCHEMBL4403113

CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)C(=O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
S100A4 P26447 1/20 0.39
PTPRC P08575 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL12336793 0.91 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL13708952 0.82 KIF11 (0.37) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13709017 0.81 PDK2 (0.41) PTPRCL3MBTL1TDP1MEN1KMT2A
SCHEMBL25596251 0.80 PDK2 (0.47) PTPRCL3MBTL1TDP1MEN1KMT2A
SCHEMBL13708982 0.78 PDK2 (0.38) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29524103 0.77 PDK2 (0.45) PTPRCL3MBTL1TDP1MEN1KMT2A
SCHEMBL3178700 0.77 PDK2 (0.45) PTPRCL3MBTL1TDP1MEN1KMT2A
SCHEMBL679067 0.77 PDK2 (0.40) CA1CA2CA4CA7CA9
SCHEMBL22745012 0.77 PDK2 (0.40) CA1CA2CA4CA7CA9
SCHEMBL2763690 0.76 PDK2 (0.44) CA1CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
EP-2366752-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND USE OF SAME MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed