SCHEMBL23678397

SCHEMBL23678397

CC(=N)OC(=N)CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.42
▸ AGXT P21549 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ KIF11 P52732 3/20 0.34
▸ TRPV3 Q8NET8 3/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL23678463 0.88 CTSA (0.37) PDE2AAGXTCTSAKIF11BACE1
SCHEMBL23678378 0.87 PDE2A (0.37) PDE2AAGXTCTSAKIF11BACE1
SCHEMBL23678465 0.86 CTSA (0.46) PDE2ACTSAKIF11AKR1C3AKR1C2
SCHEMBL23678310 0.83 PDE2A (0.36) PDE2AAGXTHDAC4CTSAKIF11
SCHEMBL23678478 0.82 KIF11 (0.39) PDE2AAGXTHDAC4CTSAKIF11
SCHEMBL23678375 0.81 AGXT (0.43) AGXTHDAC4KIF11BACE1FFAR1
SCHEMBL23678327 0.81 AGXT (0.43) AGXTHDAC4KIF11BACE1FFAR1
SCHEMBL23678326 0.81 AGXT (0.43) AGXTHDAC4KIF11BACE1FFAR1
SCHEMBL23678409 0.79 CYP17A1 (0.41) PDE2ATRPV3
SCHEMBL23678481 0.74 ADRA2C (0.33) PDE2A

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-3854788-A1 COMPOUND CONTAINING OXADIAZOLE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK Biopharmaceuticals Co., Ltd. (KR) 2021-07-28 — — EP disclosed
Send feedback