SCHEMBL32685458

SCHEMBL32685458

CCOP(=O)(CCN1c2ccc(-c3ccsc3)cc2Sc2cc(-c3ccsc3)ccc21)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
NR4A2 P43354 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CHEK1 O14757 1/20 0.31
CHRM5 P08912 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR7 P34969 1/20 0.31
CHEK2 O96017 1/20 0.31
ACMSD Q8TDX5 1/20 0.30
ERN1 O75460 1/20 0.30
PTPRC P08575 1/20 0.30
CSNK1D P48730 1/20 0.30
MAPK14 Q16539 1/20 0.30
CYP17A1 P05093 1/20 0.30

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
SCHEMBL32685461 0.85 HTR1D (0.34) HTR1DNR4A2HRH2HRH1PRMT6
SCHEMBL32685464 0.82 ERN1 (0.36) HTR1DNR4A2PRMT6CHEK1CHRM5
SCHEMBL29947117 0.78 DRD2 (0.46) HTR7
SCHEMBL27236432 0.78 DRD2 (0.46) HTR7
SCHEMBL32685463 0.75 KCNH2 (0.39) HTR1DNR4A2HRH1PRMT6CHRM5
SCHEMBL27236433 0.75 KDM1A (0.49) HRH2HRH1CHRM5KCNH2HTR7
SCHEMBL31609236 0.72 PSEN1 (0.43) HTR1DNR4A2HRH2HRH1CHEK1
SCHEMBL30631655 0.70 ERN1 (0.36) HTR1DERN1
SCHEMBL29102291 0.70 ERN1 (0.36) HTR1DERN1
SCHEMBL13722393 0.68 KDM1A (0.51) HRH2HRH1CHRM5KCNH2HTR7

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