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SCHEMBL16433730

SCHEMBL16433730

N#CC(C#N)=C1c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1/C3=C(\C#N)C=N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ AR P10275 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MPL P40238 3/20 0.31
▸ KMO O15229 2/20 0.31
▸ PGR P06401 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
SCHEMBL16433715 0.96 AR (0.34) KIF11CTSSCTSKARALDH1A1
SCHEMBL12117710 0.89 CTSS (0.40) KIF11CTSSCTSKARALDH1A1
SCHEMBL12198575 0.89 CTSS (0.40) KIF11CTSSCTSKARALDH1A1
SCHEMBL10075601 0.87 CTSS (0.41) KIF11CTSSCTSKARALDH1A1
SCHEMBL14233920 0.85 AR (0.40) KIF11CTSSCTSKARALDH1A1
SCHEMBL12149119 0.83 CTSS (0.38) KIF11CTSSCTSKARALDH1A1
SCHEMBL12117707 0.83 CTSS (0.38) KIF11CTSSCTSKARALDH1A1
SCHEMBL16002409 0.82 KIF11 (0.52) KIF11ALDH1A1GAAMAPTPKM
SCHEMBL15095657 0.82 KIF11 (0.52) KIF11ALDH1A1GAAMAPTPKM
SCHEMBL16433776 0.82 PDE2A (0.33) CTSKALDH1A1GAAMAPTPKM

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
EP-2833429-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Sony Corporation (JP) 2015-02-04 — — EP disclosed