SCHEMBL28899720

SCHEMBL28899720

Brc1ccc(Br)c(C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 2/20 0.35
TLR9 Q9NR96 1/20 0.35
S100A4 P26447 1/20 0.35
CEL P19835 1/20 0.34
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
OPRM1 P35372 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
SCHEMBL11891807 0.94 PTGDR (0.44) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL3404594 0.89 HSP90AA1 (0.39) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL126724 0.83 PTGDR (0.46) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL573920 0.80 NUDT1 (0.54) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL4883265 0.80 NUDT1 (0.54) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL9418088 0.80 KDM4E (0.36) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL28855304 0.80 KDM4E (0.43) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL3409002 0.78 PTGDR2 (0.45) PTGDRPTGDR2KDM4EMEN1MAPT
SCHEMBL17026778 0.78 PTGDR2 (0.46) PTGDRPTGDR2NOS3NOS1NOS2
SCHEMBL959572 0.78 NUDT1 (0.51) PTGDRPTGDR2KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271184-A Dendritic structural compound, compound thereof and organic electroluminescent device 中国科学院长春应用化学研究所 2024-07-02 CN disclosed
CN-115417773-B Dendritic structural compound, compound thereof and organic electroluminescent device 中国科学院长春应用化学研究所 2024-05-28 CN disclosed
CN-115385801-B Multi-arm structure compound and organic electroluminescent device 中国科学院长春应用化学研究所 2024-03-29 CN disclosed
CN-115417773-A Dendritic structure compound and compound thereof, and organic electroluminescent device 中国科学院长春应用化学研究所 2022-12-02 CN disclosed
CN-115385801-A Multi-arm structure compound and organic electroluminescent device 中国科学院长春应用化学研究所 2022-11-25 CN disclosed