SCHEMBL23678326

SCHEMBL23678326

CC(=N)OC(=N)CC(O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.43
▸ PTPN5 P54829 5/20 0.42
▸ FFAR1 O14842 5/20 0.41
▸ CASR P41180 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ KIF11 P52732 2/20 0.36

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
SCHEMBL23678375 1.00 AGXT (0.43) AGXTPTPN5FFAR1CASRPNMT
SCHEMBL23678327 1.00 AGXT (0.43) AGXTPTPN5FFAR1CASRPNMT
SCHEMBL23678331 0.88 PTPN5 (0.40) AGXTPTPN5FFAR1CASRPNMT
SCHEMBL23678493 0.87 AGXT (0.42) AGXTPTPN5FFAR1CASRHDAC4
SCHEMBL23678442 0.86 AGXT (0.40) AGXTPTPN5FFAR1
SCHEMBL23678432 0.86 F9 (0.47) PTPN5
SCHEMBL23678441 0.85 CYP2C9 (0.40) PNMT
SCHEMBL23678288 0.84 FFAR1 (0.43) AGXTPTPN5FFAR1CASRHDAC4
SCHEMBL23678263 0.84 CTSA (0.39) PTPN5FFAR1
SCHEMBL23678227 0.83 FFAR1 (0.41) AGXTPTPN5FFAR1CASRPNMT

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
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