SCHEMBL8780759

SCHEMBL8780759

CCCN(CCCc1cc(=O)n(C)c(=O)n1C)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
HTR6 P50406 5/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
BRD4 O60885 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
BRPF3 Q9ULD4 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD3 P35462 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HDAC4 P56524 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL8780885 0.88 HPGD (0.39) BRPF1LMNADRD2DRD3RXFP1
SCHEMBL8780929 0.88 KCNH2 (0.42) LMNAHTR2ADRD3
SCHEMBL8780747 0.84 KDM4E (0.42) HTR6LMNADRD2HTR2AHTR2C
SCHEMBL8780864 0.84 KCNH2 (0.44) LMNAHTR2ADRD3
Fumaric Acid SCHEMBL8780803 0.83 KCNH2 (0.39) HTR2ADRD3RXFP1
Fumaric Acid SCHEMBL8780807 0.83 KCNH2 (0.39) HTR2ADRD3RXFP1
SCHEMBL8780834 0.79 KMT2A (0.39) HTR6BRD4DRD2HTR2AHTR2C
SCHEMBL8780889 0.79 SLC22A2 (0.40) DRD2DRD3MAPTCYP3A4CYP2D6
SCHEMBL8780780 0.77 KCNH2 (0.42) BRPF1LMNAHTR2ADRD3RXFP1
SCHEMBL8780863 0.77 KCNH2 (0.41) LMNAHTR2ADRD3RXFP1

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