SCHEMBL22150982

SCHEMBL22150982

Brc1cccc2c1-c1ccccc1C2(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 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
SCHEMBL16858246 0.96 PDK2 (0.44) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL29435804 0.94 PDK2 (0.45) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL22125456 0.94 PDK2 (0.45) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL22178693 0.93 PDK2 (0.39) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL29352350 0.87 PDK2 (0.51) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL15550688 0.87 PDK2 (0.51) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL21102596 0.84 PDK2 (0.38) PDK2TDP2
SCHEMBL16858247 0.84 PDK2 (0.44) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL16858243 0.84 PDK2 (0.46) PDK2MEN1KMT2ALMNAMAPT
SCHEMBL23327477 0.84 PDK2 (0.49) PDK2MEN1KMT2ALMNAMAPT

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
WO-2020127145-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed