SCHEMBL9869584

SCHEMBL9869584

CCN(CCNCCCCc1ccc([N+](=O)[O-])cc1)c1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
SLC22A2 O15244 1/20 0.52
ADRB1 P08588 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC47A2 Q86VL8 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52
CHRM2 P08172 1/20 0.42
KCNJ1 P48048 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ASAH1 Q13510 1/20 0.36

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
SCHEMBL9383178 0.97 KCNH2 (0.53) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9387858 0.95 KCNH2 (0.51) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9385340 0.90 KCNH2 (0.60) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9385760 0.90 KCNH2 (0.52) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9389045 0.87 KCNH2 (0.61) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9389527 0.87 KCNH2 (0.50) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9383236 0.86 SLC22A2 (0.51) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9385003 0.86 PKM (0.52) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Hydrochloric Acid SCHEMBL9384571 0.85 SLC22A2 (0.50) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386225 0.85 KCNH2 (0.55) KCNH2SLC22A2ADRB1SLC6A4SLC47A2

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
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