SCHEMBL6896786

SCHEMBL6896786

CC1=NC(c2cc(=O)c3c(OCc4ccc(F)cc4)cccc3o2)=NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 1/20 0.52
AR P10275 4/20 0.49
BRD4 O60885 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL6807340 0.79 BCHE (0.57) BCHEACHEARBRD4L3MBTL1
SCHEMBL757274 0.77 BCHE (0.50) BCHEACHEARBRD4L3MBTL1
SCHEMBL756733 0.76 BCHE (0.49) BCHEACHEARBRD4L3MBTL1
SCHEMBL2486552 0.75 BCHE (0.53) BCHEACHEARBRD4L3MBTL1
SCHEMBL752572 0.75 BCHE (0.50) BCHEACHEARBRD4L3MBTL1
SCHEMBL17523234 0.69 BCHE (0.82) BCHEACHEARL3MBTL1KDM4E
SCHEMBL6896780 0.68 BRD4 (0.43) BCHEACHEARBRD4MAOB
SCHEMBL753327 0.68 AR (0.47) BCHEACHEARKDM4EALDH1A1
SCHEMBL15619737 0.68 BCHE (0.66) BCHEACHEARL3MBTL1KDM4E
SCHEMBL16921594 0.67 BRD4 (0.58) BCHEACHEARBRD4L3MBTL1

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
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed