SCHEMBL14971971

SCHEMBL14971971

Fc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 10/20 0.44
▸ AGPAT2 O15120 1/20 0.42
▸ DGAT1 O75907 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ CBFB Q13951 1/20 0.40
▸ SOAT1 P35610 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ PTGES O14684 1/20 0.38

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
SCHEMBL15231839 0.79 NPBWR1 (0.43) NPBWR1DGAT1KCNH2CBFBSOAT1
SCHEMBL19137954 0.77 DGAT1 (0.47) NPBWR1AGPAT2DGAT1KCNH2CBFB
SCHEMBL15245205 0.76 NPBWR1 (0.53) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL24075258 0.76 NPBWR1 (0.56) NPBWR1DGAT1KCNH2SOAT1ALDH1A1
SCHEMBL666767 0.74 NPBWR1 (0.43) NPBWR1DGAT1KCNH2CBFBKDM4E
SCHEMBL2360765 0.73 NPBWR1 (0.48) NPBWR1DGAT1KCNH2SOAT1PTGES
SCHEMBL15245140 0.73 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL32680254 0.73 DGAT1 (0.44) NPBWR1AGPAT2DGAT1KCNH2CBFB
SCHEMBL2361306 0.72 AMY1A (0.44) NPBWR1DGAT1PTGES
SCHEMBL15231992 0.72 DGAT1 (0.47) NPBWR1DGAT1KCNH2CBFBSOAT1

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-2013074387-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — WO disclosed
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