SCHEMBL529750

SCHEMBL529750

FC(F)(F)c1ccc2nc(-c3ccc(I)cc3)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.74
DGAT1 O75907 8/20 0.74
KCNH2 Q12809 7/20 0.74
SOAT1 P35610 4/20 0.67
CBFB Q13951 1/20 0.56
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL10326035 0.88 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL900794 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL6325971 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL4184260 0.85 DGAT1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL10381149 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL20445295 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL27040116 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL30726466 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL19489313 0.83 NPBWR1 (0.75) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL4184180 0.80 DGAT1 (0.78) NPBWR1DGAT1KCNH2SOAT1

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
WO-2012015693-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-02-02 WO disclosed
WO-2012015693-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-02-02 WO disclosed