SCHEMBL30997032

SCHEMBL30997032

CNC(=O)c1ccc(C(=O)NC)c(N=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NEU3 Q9UQ49 1/20 0.56
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ PLAU P00749 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PLK1 P53350 6/20 0.42
▸ THRB P10828 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ PYGL P06737 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL16521645 0.79 HDAC8 (0.54) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL26780141 0.79 GFER (0.46) NEU3HTTCA2GAA
SCHEMBL10157678 0.79 HDAC8 (0.46) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL21416718 0.78 PLK1 (0.50) SMN1; SMN2HPGDTSHRHTTPLK1
SCHEMBL13496979 0.74 NEU3 (0.40) NEU3HDAC2PLK1CA2GAA
SCHEMBL15315480 0.74 CDC25A (0.52) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL11686716 0.74 HPGD (0.53) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL3783986 0.74 PYGL (0.57) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL29306646 0.74 GAA (0.58) NEU3HDAC8HDAC6HDAC2PLAU
SCHEMBL30951645 0.72 GAA (0.45) NEU3HDAC8HDAC6HDAC2SMN1; SMN2

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-118339006-A Method for jetting polyurethane foam body in tyre with noise reduction effect 株式会社威尔肯柯瑞亚 2024-07-12 — — CN disclosed
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