SCHEMBL5504564

SCHEMBL5504564

[CH2]c1cc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.50
AXL P30530 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
IDO1 P14902 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL17400909 0.79 SLC9A1 (0.51) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL5504567 0.78 SLC9A1 (0.50) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL5918418 0.78 SLC9A1 (0.54) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL1098437 0.76 SLC9A1 (0.44) SLC9A1KDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL18858488 0.75 SLC9A1 (0.48) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL3279792 0.74 SLC9A1 (0.50) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL22826515 0.74 SLC9A1 (0.47) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL7031998 0.74 SLC9A1 (0.65) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5761571 0.74 SLC9A1 (0.47) SLC9A1AXLHDAC3HDAC4HDAC1
SCHEMBL1745259 0.74 SLC9A1 (0.50) SLC9A1AXLHDAC3HDAC4HDAC1

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-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO disclosed