SCHEMBL6120196

SCHEMBL6120196

CNC(=O)c1c(-c2ccc(F)cc2)oc2cccc(C3CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
CYP2C9 P11712 5/20 0.48
CYP2C19 P33261 4/20 0.48
KCNH2 Q12809 8/20 0.47
CYP2C8 P10632 3/20 0.43

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
SCHEMBL6119517 0.84 RAB9A (0.37) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2436747 0.83 AR (0.45) CYP3A4KCNH2CYP2C8
SCHEMBL19242439 0.79 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL4304092 0.78 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL18038612 0.77 KCNH2 (0.43) CYP3A4KCNH2CYP2C8
SCHEMBL1919191 0.76 L3MBTL1 (0.53) CYP3A4KCNH2CYP2C8
SCHEMBL5518511 0.75 CYP2C9 (0.53) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL4314359 0.75 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL20923772 0.75 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8
SCHEMBL1918634 0.75 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744332-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2014-06-25 EP disclosed
WO-2013028371-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS GLAXO GROUP LIMITED (GB) 2013-02-28 WO disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed