SCHEMBL9384396

SCHEMBL9384396

Cn1c(NCCNCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.59
ADRB1 P08588 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
SLC47A2 Q86VL8 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
CHRM2 P08172 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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 SCHEMBL9385049 0.94 SLC22A2 (0.57) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9383710 0.89 KCNH2 (0.64) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
Oxalic Acid SCHEMBL9385454 0.89 SLC22A2 (0.59) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9384586 0.88 KCNH2 (0.68) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
Hydrochloric Acid SCHEMBL9383350 0.87 KCNH2 (0.67) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9870171 0.87 KCNH2 (0.67) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9385096 0.85 SLC22A2 (0.58) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
Oxalic Acid SCHEMBL9385689 0.85 KCNH2 (0.61) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9386254 0.84 KCNH2 (0.66) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9383759 0.84 ADRB1 (0.55) SLC22A2ADRB1SLC6A4KCNH2SLC47A2

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