SCHEMBL16409682

SCHEMBL16409682

CN/N=C/c1ccc2c(c1)CC1C2=NOC1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SCN9A Q15858 1/20 0.30

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
SCHEMBL16409626 0.91 GCGR (0.33) GCGRMEN1NPC1MITFGAA
SCHEMBL17813841 0.83 LMNA (0.44) GCGRMEN1GAARAB9AKMT2A
SCHEMBL16409638 0.77 MEN1 (0.35) GCGRMEN1NPC1MITFGAA
SCHEMBL19315818 0.76
SCHEMBL17813838 0.75 LMNA (0.43) GCGRMEN1GAARAB9AKMT2A
SCHEMBL16409697 0.74 KDM4E (0.46) GCGRMEN1NPC1MITFGAA
SCHEMBL19315682 0.73 MEN1 (0.37) GCGRMEN1NPC1GAARAB9A
SCHEMBL19315822 0.72 PTPN1 (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL17813840 0.69 LMNA (0.45) GCGRMEN1GAARAB9AKMT2A
SCHEMBL16409683 0.66 GCGR (0.40) GCGRMEN1NPC1MITFGAA

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-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO disclosed