SCHEMBL30300504

SCHEMBL30300504

O=C(O)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 16/20 0.73
ACHE P22303 5/20 0.69
NOX1 Q9Y5S8 1/20 0.68
HTR1A P08908 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
DRD3 P35462 1/20 0.59
HTR2B P41595 1/20 0.59
HTR6 P50406 1/20 0.59

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
SCHEMBL4446747 1.00 BCHE (0.73) BCHEACHENOX1HTR1AADRB3
Pyrrole SCHEMBL8426380 0.89 BCHE (0.59) BCHEACHENOX1
Diethanolamine SCHEMBL9727343 0.85 BCHE (0.54) BCHEACHENOX1
SCHEMBL8739172 0.84 BCHE (0.76) BCHEACHENOX1
SCHEMBL27597035 0.82 BCHE (0.51) BCHEACHENOX1HTR1AADRB3
SCHEMBL343497 0.82 BCHE (1.00) BCHEACHENOX1
SCHEMBL7249195 0.81 ALDH1A1 (0.48) BCHEACHENOX1
SCHEMBL522271 0.81 BCHE (0.70) BCHEACHENOX1
SCHEMBL341905 0.81 NOX1 (1.00) BCHEACHENOX1
SCHEMBL4778133 0.81 BCHE (0.70) BCHEACHENOX1

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
WO-2023043432-A1 MITOCHONDRIAL THERAPEUTIC AGENTS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-03-23 WO disclosed