SCHEMBL9388574

SCHEMBL9388574

Cn1c(N2CCN(CCC(=O)C[N+](=O)[O-])CC2)cc(=O)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH1 P35367 17/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL9429034 0.82 MEN1 (0.54) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9388133 0.77 HRH1 (0.44) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9201846 0.76 MEN1 (0.63) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9205131 0.75 ALDH1A1 (0.81) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9429398 0.74 HTR1A (0.56) ALDH1A1KMT2AHRH1
SCHEMBL9202257 0.73 MEN1 (0.59) MEN1ALDH1A1KMT2AHRH1ADRA1D
Hydrochloric Acid SCHEMBL9428830 0.73 ALDH1A1 (0.56) ALDH1A1KMT2AHRH1
SCHEMBL9870796 0.73 LMNA (0.50) MEN1ALDH1A1KMT2A
SCHEMBL9430824 0.73 ALDH1A1 (0.63) MEN1ALDH1A1KMT2AHRH1ADRA1D
SCHEMBL9386499 0.72 ALDH1A1 (0.58) MEN1ALDH1A1KMT2AHRH1ADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed