SCHEMBL16121405

SCHEMBL16121405

FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 4/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ NPBWR1 P48145 3/20 0.44
▸ RHEB Q15382 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TRPV1 Q8NER1 4/20 0.41
▸ DGAT1 O75907 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL16121160 0.86 KDM4E (0.45) NPC1NPBWR1KDM4EALDH1A1TRPV1
SCHEMBL16121404 0.85 NPC1 (0.46) CHEK2NPC1NPBWR1RHEBKDM4E
SCHEMBL16121162 0.82 KDM4E (0.55) NPC1NPBWR1KDM4EALDH1A1TRPV1
SCHEMBL900987 0.81 RHEB (0.50) CHEK2NPBWR1RHEBTRPV1DGAT1
SCHEMBL19137955 0.78 TRPV1 (0.55) CHEK2NPBWR1RHEBTRPV1DGAT1
SCHEMBL16102119 0.76 NPC1 (0.62) NPC1KDM4EALDH1A1RAB9ADGAT1
SCHEMBL16121161 0.75 CBFB (0.58) NPC1NPBWR1KDM4EALDH1A1DGAT1
SCHEMBL19137958 0.75 DGAT1 (0.53) CHEK2NPBWR1RHEBDGAT1KCNH2
SCHEMBL16121415 0.74 TRPV1 (0.63) CHEK2NPBWR1TRPV1DGAT1
SCHEMBL16121163 0.74 NPBWR1 (0.41) NPC1NPBWR1TRPV1DGAT1PIK3CD

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-2014149207-A2 BENZIMIDAZOLE-BASED INSECTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
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