SCHEMBL29271013

SCHEMBL29271013

O=C1CCCC(O)=C1C(=O)c1cn(Cc2ccc(C(F)(F)F)nc2)nc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.37
▸ EGLN1 Q9GZT9 3/20 0.36
▸ EGLN2 Q96KS0 2/20 0.35
▸ EGLN3 Q9H6Z9 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ NR3C1 P04150 2/20 0.32
▸ GLS O94925 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ DAO P14920 1/20 0.31

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
SCHEMBL29271006 0.88 KLKB1 (0.39) KLKB1
SCHEMBL29271004 0.88 KLKB1 (0.42) KLKB1EGLN1
SCHEMBL29271043 0.85 KLKB1 (0.37) KLKB1EGLN1EGLN2EGLN3PRMT5
SCHEMBL29271020 0.80 EGLN1 (0.39) KLKB1EGLN1EGLN2EGLN3PRMT5
SCHEMBL29270995 0.79 KDM4E (0.35) —
SCHEMBL29271023 0.78 KLKB1 (0.42) KLKB1
SCHEMBL29271007 0.75 MAPT (0.33) KLKB1
SCHEMBL29271047 0.75 KLKB1 (0.34) KLKB1PRMT5WDR77
SCHEMBL29271038 0.74 FTO (0.39) KLKB1
SCHEMBL29271008 0.74 KMT2A (0.39) KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271287-A Cyclohexanedione derivative, preparation method, application and herbicide thereof 南京农业大学 2024-07-02 — — CN claimed
CN-118271287-A Cyclohexanedione derivative, preparation method, application and herbicide thereof 南京农业大学 2024-07-02 — — CN disclosed
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