SCHEMBL8780747

SCHEMBL8780747

CCCN(CCCc1ccc(NS(C)(=O)=O)cc1)CCCc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
KCNH2 Q12809 6/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC22A2 O15244 1/20 0.41
ADRB1 P08588 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DRD3 P35462 3/20 0.39
HPGD P15428 2/20 0.39
CACNA1F O60840 2/20 0.39
CHRM2 P08172 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
ACHE P22303 1/20 0.39
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL8780929 0.97 KCNH2 (0.42) KDM4EKCNH2GRIN1GRIN2BSLC6A4
SCHEMBL8780864 0.93 KCNH2 (0.44) KDM4EKCNH2GRIN1GRIN2BSLC6A4
SCHEMBL8780780 0.93 KCNH2 (0.42) KDM4EKCNH2GRIN1GRIN2BSLC6A4
Fumaric Acid SCHEMBL8780803 0.90 KCNH2 (0.39) KDM4EKCNH2GRIN1GRIN2BSLC6A4
Fumaric Acid SCHEMBL8780807 0.90 KCNH2 (0.39) KDM4EKCNH2GRIN1GRIN2BSLC6A4
SCHEMBL8780863 0.90 KCNH2 (0.41) KDM4EKCNH2GRIN1GRIN2BSLC6A4
SCHEMBL8780885 0.89 HPGD (0.39) KCNH2SLC6A4SLC22A2ADRB1SLC47A2
SCHEMBL8780917 0.88 NPC1 (0.49) KCNH2GRIN1GRIN2BSLC6A4ALDH1A1
SCHEMBL8780834 0.86 KMT2A (0.39) KCNH2ALDH1A1DRD3HTR2ADRD2
SCHEMBL8780936 0.85 KCNH2 (0.54) KDM4EKCNH2GRIN1GRIN2BALDH1A1

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
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed