SCHEMBL900794

SCHEMBL900794

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.74
DGAT1 O75907 7/20 0.74
KCNH2 Q12809 6/20 0.74
SOAT1 P35610 3/20 0.67
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
CBFB Q13951 1/20 0.56

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
SCHEMBL10325105 0.88 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SOAT1MMP2
SCHEMBL10325798 0.86 NPBWR1 (0.64) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL6325971 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1MMP2
SCHEMBL4184260 0.85 DGAT1 (1.00) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL529750 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL10381149 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL20445295 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL27040014 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1MMP13
SCHEMBL10380554 0.85 NPBWR1 (0.69) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL31593060 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1MMP13

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
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed