SCHEMBL27710697

SCHEMBL27710697

CCCCCCC(CC)(NC(N)=O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.44
SCN9A Q15858 3/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
OGG1 O15527 1/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53BP1 Q12888 1/20 0.35
SLC6A19 Q695T7 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL19612843 0.78 L3MBTL1 (0.44) SCN5ASCN9AL3MBTL1MEN1KMT2A
SCHEMBL3754503 0.74 GAA (0.42) SCN5ASCN9ACYP1A2LMNAL3MBTL1
SCHEMBL10237587 0.72 SCN5A (0.44) SCN5ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL20181885 0.72 CYP1A2 (0.42) SCN5ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL23745787 0.71 CYP1A2 (0.44) SCN5ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL26265942 0.71 CNR2 (0.52) CYP1A2CYP2D6CYP2C19CNR1CNR2
SCHEMBL6014096 0.71 PARP1 (0.49) SCN5ASCN9AL3MBTL1PARP1GAA
SCHEMBL19464361 0.71 CYP1A2 (0.44) SCN5ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL16596493 0.70 CYP2D6 (0.43) SCN5ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL27991722 0.70 CNR2 (0.50) CYP1A2CYP2D6CYP2C19CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101022810-A Novel biaromatic compounds which activate peroxisome proliferator activated receptor-like receptors and their use in cosmetic or pharmaceutical compositions GALDERMA RES & DEV (FR) 2007-08-22 CN disclosed