SCHEMBL3558780

SCHEMBL3558780

Cc1[nH]c(CO)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SLC2A1 P11166 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
CTSA P10619 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL3110262 0.92 SLC2A1 (0.43) SCN9ASLC2A1
SCHEMBL13439218 0.88 TLR8 (0.42) SCN9ASLC2A1MAPK14
SCHEMBL9266167 0.87 SLC2A1 (0.51) SCN9ATHRATHRBSLC2A1MAPK14
SCHEMBL3556733 0.83 SLC2A1 (0.48) SCN9ASLC2A1
SCHEMBL3561339 0.82 SLC2A1 (0.40) SLC2A1TRPC5
SCHEMBL3560834 0.81 SLC2A1 (0.44) SCN9ASLC2A1
SCHEMBL4472453 0.78 SLC2A1 (0.58) SCN9ASLC2A1
SCHEMBL13049774 0.78 DGAT1 (0.40)
SCHEMBL3711185 0.78 SLC2A1 (0.38) SLC2A1
SCHEMBL3718102 0.77 SLC2A1 (0.38) SLC2A1

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
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US claimed
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed