SCHEMBL16121163

SCHEMBL16121163

FC(F)(F)Oc1cc2nc(-c3ccc(C(F)(F)F)nc3)[nH]c2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ DGAT1 O75907 5/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ RUNX1 Q01196 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ AMY1A P0DUB6 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL16121415 0.80 TRPV1 (0.63) NPBWR1TRPV1DGAT1PDE10ARUNX1
SCHEMBL16121162 0.78 KDM4E (0.55) NPBWR1TRPV1DGAT1PIK3CDPIK3CA
SCHEMBL16121160 0.75 KDM4E (0.45) NPBWR1TRPV1DGAT1PIK3CDPIK3CA
SCHEMBL16121405 0.74 CHEK2 (0.47) NPBWR1TRPV1DGAT1PIK3CDPIK3CA
SCHEMBL16121404 0.74 NPC1 (0.46) NPBWR1DGAT1PDE10APIK3CDPIK3CA
SCHEMBL16102119 0.72 NPC1 (0.62) DGAT1NPC1POLBNPSR1KCNH2
SCHEMBL24075264 0.68 NPBWR1 (0.59) NPBWR1TRPV1DGAT1KCNH2
SCHEMBL30278641 0.68 DGAT1 (0.45) NPBWR1TRPV1DGAT1NPC1KCNH2
SCHEMBL25168715 0.68 DGAT1 (0.45) NPBWR1TRPV1DGAT1NPC1KCNH2
SCHEMBL24168714 0.68 NPBWR1 (0.40) NPBWR1TRPV1DGAT1NPC1POLB

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
Send feedback