SCHEMBL23678346

SCHEMBL23678346

CC(=N)OC(=N)C(F)C(OC(N)=O)c1cccc(OCCCC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ CACNA1B Q00975 3/20 0.39
▸ CYP2D6 P10635 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PRSS1 P07477 6/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL23678491 0.91 KCNH2 (0.38) KCNH2CACNA1BCYP2D6KDM4EALDH1A1
SCHEMBL23678396 0.82 CACNA1B (0.41) KCNH2CACNA1BCYP2D6KDM4EALDH1A1
SCHEMBL23678380 0.82 KCNH2 (0.39) KCNH2CACNA1BCYP2D6MAOB
SCHEMBL23678487 0.77 KCNH2 (0.38) KCNH2CACNA1BCYP2D6KDM4EALDH1A1
SCHEMBL21834295 0.76 CTSA (0.37) KCNH2CACNA1BCYP2D6MAOB
SCHEMBL23678412 0.74 KCNH2 (0.39) KCNH2CACNA1BCYP2D6MAOB
SCHEMBL21834233 0.74 CTSA (0.37) KCNH2CACNA1BCYP2D6KDM4EALDH1A1
SCHEMBL23678480 0.70 MAOB (0.36) KCNH2CACNA1BMAOB
SCHEMBL18896125 0.69 KDM4E (0.56) KCNH2CACNA1BCYP2D6KDM4EALDH1A1
SCHEMBL23678416 0.69 MAOB (0.35) KCNH2CACNA1BMAOB

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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