SCHEMBL8780885

SCHEMBL8780885

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(NS(=O)(=O)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 3/20 0.38
SLC22A2 O15244 1/20 0.38
ADRB1 P08588 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
BRPF1 P55201 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
PGR P06401 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33

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 0.92 KCNH2 (0.42) HPGDLMNAHTTSMN1; SMN2KCNH2
SCHEMBL8780747 0.89 KDM4E (0.42) HPGDLMNAHTTSMN1; SMN2KCNH2
SCHEMBL8780864 0.88 KCNH2 (0.44) HPGDLMNAHTTSMN1; SMN2KCNH2
SCHEMBL8780759 0.88 TRIM24 (0.44) LMNABRPF1RXFP1MAPTCYP3A4
Fumaric Acid SCHEMBL8780807 0.85 KCNH2 (0.39) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
Fumaric Acid SCHEMBL8780803 0.85 KCNH2 (0.39) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780889 0.83 SLC22A2 (0.40) KCNH2SLC22A2ADRB1SLC6A4SLC47A2
SCHEMBL8780780 0.81 KCNH2 (0.42) HPGDLMNAHTTSMN1; SMN2KCNH2
SCHEMBL8780834 0.81 KMT2A (0.39) KCNH2DRD2DRD1DRD4DRD5
SCHEMBL8780863 0.80 KCNH2 (0.41) HPGDLMNAHTTSMN1; SMN2KCNH2

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