SCHEMBL31338529

SCHEMBL31338529

CCOC1(C)C=CC([N+](=O)[O-])=CC1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL31338545 0.84 HTT (0.33)
SCHEMBL27616778 0.74
SCHEMBL31338542 0.73
SCHEMBL9707588 0.73
SCHEMBL9837478 0.71
SCHEMBL31338548 0.70
SCHEMBL1615883 0.64
SCHEMBL5224569 0.64
SCHEMBL16207594 0.64
SCHEMBL28984166 0.64 TSHR (0.31)

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
CN-119019336-A 4-Hydroxy-5-phenylaminoimidazole compound, and preparation method and application thereof 浙大城市学院 2024-11-26 CN disclosed