SCHEMBL9388604

SCHEMBL9388604

Cn1c(N2CCN(CCC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
HTR1A P08908 2/20 0.59
HRH1 P35367 6/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SOD1 P00441 1/20 0.44
HTR7 P34969 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL9384076 0.90 POLB (0.57) KMT2AHTR1AHRH1POLBMEN1
Hydrochloric Acid SCHEMBL9384967 0.89 POLB (0.56) KMT2AHTR1AHRH1POLBMEN1
SCHEMBL9383742 0.84 ALDH1A1 (0.50) POLBALDH1A1MAPT
SCHEMBL9384356 0.84 KCNJ1 (0.53) KMT2AHTR1AHRH1MEN1ALDH1A1
SCHEMBL9429593 0.84 SOD1 (0.57) KMT2AHTR1AHRH1MEN1ALDH1A1
SCHEMBL9429398 0.84 HTR1A (0.56) KMT2AHTR1AHRH1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9384859 0.83 ALDH1A1 (0.49) POLBALDH1A1MAPT
Hydrochloric Acid SCHEMBL9428830 0.83 ALDH1A1 (0.56) KMT2AHTR1AHRH1ALDH1A1MAPT
SCHEMBL9384620 0.82 KCNJ1 (0.64) KCNJ1KCNH2
Oxalic Acid SCHEMBL9388181 0.82 KCNJ1 (0.50) KMT2AHTR1AHRH1MEN1ALDH1A1

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 3 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
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed