SCHEMBL9384174

SCHEMBL9384174

CN(CCCCc1ccc([N+](=O)[O-])cc1)CCN(C)c1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
SLC22A2 O15244 1/20 0.50
ADRB1 P08588 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC47A2 Q86VL8 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
SIGMAR1 Q99720 2/20 0.45
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNJ1 P48048 2/20 0.39
CDC25C P30307 2/20 0.38

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
SCHEMBL9384655 0.97 KCNH2 (0.53) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9386734 0.92 KCNH2 (0.52) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9387366 0.86 KCNH2 (0.57) KCNH2SLC6A4PKMSMN1; SMN2
SCHEMBL9389104 0.85 MAPT (0.48) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9386225 0.85 KCNH2 (0.55) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9384775 0.85 PKM (0.54) KCNH2SLC6A4PKMSMN1; SMN2
SCHEMBL9384079 0.85 KCNH2 (0.40) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL9429247 0.84 FDPS (0.40) KCNH2SIGMAR1SMN1; SMN2
SCHEMBL9429706 0.81 SLC6A4 (0.38) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Oxalic Acid SCHEMBL9384642 0.81 MAPT (0.43) 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 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