SCHEMBL20752425

SCHEMBL20752425

CC1(OI)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
S100A4 P26447 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ITGA4 P13612 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PGR P06401 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
SCHEMBL14135112 0.80 PDK2 (0.39) PDK2ESR1ESR2THRBTDP1
SCHEMBL15108313 0.78 MAPT (0.43) PDK2ESR1ESR2THRBTDP1
SCHEMBL28550784 0.76 PDK2 (0.41) PDK2ESR1ESR2THRBTDP1
SCHEMBL17448371 0.73 PDK2 (0.41) PDK2THRBTDP1MAPTKDM4E
SCHEMBL18415206 0.72 PDK2 (0.41) PDK2ESR1ESR2THRBTDP1
SCHEMBL11688916 0.71 ESR1 (0.37) PDK2ESR1ESR2THRBTDP1
SCHEMBL29363404 0.71 HTR2A (0.48) PDK2THRBTDP1MAPTS100A4
SCHEMBL18383337 0.71 PDK2 (0.44) PDK2ESR1ESR2THRBTDP1
SCHEMBL29386757 0.71 PDK2 (0.44) PDK2ESR1ESR2THRBTDP1
SCHEMBL283246 0.71 HTR2A (0.48) PDK2THRBTDP1MAPTS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915996-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-12-01 EP disclosed
EP-3505524-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-07-07 EP disclosed
EP-3783006-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-02-24 EP disclosed
EP-3444258-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2020-07-01 EP disclosed
EP-3505524-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-07-03 EP disclosed
EP-3444258-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-02-20 EP disclosed