SCHEMBL12066028

SCHEMBL12066028

Bc1cnc2[nH]c(C(OCC)c3ccc(OC(F)(F)F)cc3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 13/20 0.36
▸ SCN10A Q9Y5Y9 6/20 0.36
▸ SCN1A P35498 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33

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
SCHEMBL12066026 0.89 PDE2A (0.37) PDE2ASCN10ASCN1AKCNH2SCN5A
SCHEMBL14763244 0.88 PDE2A (0.36) PDE2ASCN10ASCN1AKCNH2SCN5A
SCHEMBL12065286 0.88 SCN10A (0.38) PDE2ASCN10A
SCHEMBL12066007 0.83 SCN10A (0.40) PDE2ASCN10A
SCHEMBL12065653 0.82 TOP2A (0.39) PDE2ASCN10A
SCHEMBL12065287 0.80 SCN10A (0.36) PDE2ASCN10A
SCHEMBL12066025 0.78 SCN10A (0.45) PDE2ASCN10A
SCHEMBL12066012 0.78 MEN1 (0.45) PDE2ASCN10A
SCHEMBL14763552 0.77 SCN10A (0.43) PDE2ASCN10A
SCHEMBL12065657 0.76 MLKL (0.51) SCN10A

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-2011148956-A1 FUSED IMIDAZOLE DERIVATIVE トーアエイヨー株式会社 (JP) 2011-12-01 — — WO disclosed
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