SCHEMBL12337055

SCHEMBL12337055

Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(P(=O)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.42
HPGD P15428 3/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
PARP1 P09874 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4402235 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL4402995 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL20198278 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL4401215 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL4401168 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL20198220 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL12336787 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL4401118 1.00 PDK2 (0.42) PDK2HPGDELANELMNAMEN1
SCHEMBL4401218 0.96 PDK2 (0.43) PDK2HPGDELANELMNAKDM4E
SCHEMBL4402341 0.96 HPGD (0.42) PDK2HPGDELANELMNAMEN1

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
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
EP-2366752-A2 New materials for electroluminescence and use of same Merck Patent GmbH (DE) 2011-09-21 EP disclosed