SCHEMBL28560290

SCHEMBL28560290

Cc1cc(I)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 3/20 0.35
AKT2 P31751 2/20 0.35
CHEK1 O14757 1/20 0.35
BRD2 P25440 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TDO2 P48775 1/20 0.33
HPGD P15428 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
SCHEMBL24848661 0.77 MAPT (0.39) ESR2ESR1MAPTHTTLMNA
SCHEMBL27770560 0.76 ESR2 (0.45) ESR2MAPTHTTLMNABRD4
SCHEMBL16901963 0.76 BACE1 (0.41) ESR2ESR1MAPTHTTLMNA
SCHEMBL9254935 0.74 BACE1 (0.44) ESR2ESR1MAPTHTTLMNA
SCHEMBL20873646 0.74 MAPT (0.43) ESR2MAPTHTTLMNABRD4
SCHEMBL22391489 0.73 MAPT (0.48) MAPTHTTLMNABRD4AKT2
SCHEMBL959273 0.73 ALDH1A1 (0.44) ESR2MAPTHTTLMNABRD4
SCHEMBL5547255 0.73 MAPT (0.44) ESR2MAPTHTTLMNABRD4
SCHEMBL1133458 0.72 PSMB5 (0.46) ESR2MAPTHTTLMNABRD4
SCHEMBL5551256 0.72 MAPT (0.42) ESR2MAPTHTTLMNABRD4

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
CN-109535397-B Stable organic light-emitting free radical polymer and OLED (organic light-emitting diode) device based on same 吉林大学 2021-04-27 CN disclosed