SCHEMBL20198233

SCHEMBL20198233

N=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24742443 0.90 PDK2 (0.44) PDK2
SCHEMBL20420088 0.81 PDK2 (0.46) PDK2ESR1ESR2
SCHEMBL15041018 0.81 PDK2 (0.47) PDK2
SCHEMBL134286 0.81 PDK2 (0.58) PDK2
SCHEMBL134285 0.81 PDK2 (0.58) PDK2
SCHEMBL29114 0.81 PDK2 (0.58) PDK2
SCHEMBL12856554 0.81 PDK2 (0.41) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL2456262 0.79 PDK2 (0.55) PDK2KMT2A
SCHEMBL5846670 0.79 PDK2 (0.55) PDK2KMT2A
SCHEMBL12337045 0.79 PDK2 (0.60) PDK2

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 1 patent. 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