SCHEMBL22489142

SCHEMBL22489142

O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)C1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOXO1 Q12778 14/20 0.80
▸ PDE10A Q9Y233 3/20 0.56
▸ ACHE P22303 1/20 0.55
▸ PDPK1 O15530 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL24513595 0.89 FOXO1 (1.00) FOXO1PDE10AACHEPDPK1SMN1; SMN2
SCHEMBL22489139 0.85 FOXO1 (0.77) FOXO1PDE10AACHEPDPK1
SCHEMBL22489135 0.85 FOXO1 (0.77) FOXO1PDE10AACHEPDPK1SMN1; SMN2
SCHEMBL22488741 0.78 ACHE (0.81) FOXO1PDE10AACHE
SCHEMBL15705185 0.78 PDPK1 (0.52) FOXO1PDPK1SMN1; SMN2
SCHEMBL24512908 0.78 FOXO1 (0.80) FOXO1PDE10AACHE
SCHEMBL22489136 0.77 FOXO1 (0.74) FOXO1PDE10AACHESMN1; SMN2
SCHEMBL25429204 0.77 FOXO1 (0.64) FOXO1PDE10AACHE
SCHEMBL30754034 0.77 FOXO1 (0.64) FOXO1PDE10AACHE
SCHEMBL25428325 0.75 FOXO1 (0.70) FOXO1PDE10AACHE

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-2020198351-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-10-01 — — WO disclosed
Send feedback