SCHEMBL32685459

SCHEMBL32685459

BrCCN1c2ccc(Br)cc2Oc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.47
PIM1 P11309 4/20 0.39
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
CUL4A Q13619 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 2/20 0.32
ALDH3A1 P30838 2/20 0.32
ACHE P22303 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 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
SCHEMBL30869472 0.89 AHR (0.44) AHRPIM1DRD2HTR2AHTR7
SCHEMBL13308132 0.88 AHR (0.42) AHRPIM1DRD2HTR2AHTR7
SCHEMBL30869593 0.86 AHR (0.41) AHRPIM1DRD2HTR2AHTR7
SCHEMBL32682896 0.84 AHR (0.39) AHRPIM1DRD2HTR2AHTR7
SCHEMBL31314370 0.81 ALDH1A1 (0.44) AHRPIM1ALDH1A1LMNAMAPT
SCHEMBL28664202 0.80 PIM1 (0.45) AHRPIM1ATMMEN1KMT2A
SCHEMBL23573065 0.79 AHR (0.48) AHRPIM1CUL4APKMALDH1A1
SCHEMBL31443280 0.79 AHR (0.48) AHRPIM1CUL4APKMALDH1A1
SCHEMBL7643900 0.78 KMO (0.43) AHRCUL4ALMNAMAPTMEN1
SCHEMBL3023529 0.78 CNR1 (0.42) AHRPIM1ALDH1A1CES1LMNA

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-4712742-A1 COMPOUNDS FORMING HOLE-TRANSPORTING SELF-ASSEMBLED MONOLAYER Helmholtz-Zentrum Berlin für Materialien und Energie GmbH (DE) 2026-03-18 EP disclosed