SCHEMBL9384356

SCHEMBL9384356

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
BCHE P06276 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH1 P35367 4/20 0.44
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HRH2 P25021 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
Oxalic Acid SCHEMBL9388181 0.97 KCNJ1 (0.50) KCNJ1KCNH2BCHEATML3MBTL1
SCHEMBL9388604 0.84 KMT2A (0.60) KCNJ1KCNH2HRH1HTR1AMAPT
SCHEMBL9386459 0.84 LTA4H (0.58) KCNJ1KCNH2HRH1MAPTKMT2A
SCHEMBL9384076 0.83 POLB (0.57) HRH1HTR1AMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL9384427 0.83 LTA4H (0.57) KCNJ1KCNH2HRH1MAPTKMT2A
SCHEMBL9431507 0.82 HRH1 (0.44) ATMHRH1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9384967 0.82 POLB (0.56) HRH1HTR1AMAPTKMT2AMEN1
SCHEMBL9383742 0.82 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1
SCHEMBL9383669 0.81 HRH3 (0.57) HRH1HTR1AMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9384859 0.81 ALDH1A1 (0.49) L3MBTL1MAPTALDH1A1

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