SCHEMBL29271006

SCHEMBL29271006

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.39
▸ CASP6 P55212 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KCNK3 O14649 1/20 0.32

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
SCHEMBL29271013 0.88 KLKB1 (0.37) KLKB1
SCHEMBL29271023 0.86 KLKB1 (0.42) KLKB1
SCHEMBL29271008 0.86 KMT2A (0.39) KLKB1CASP6KMT2AMEN1ATM
SCHEMBL29271035 0.85 KLKB1 (0.40) KLKB1CASP6KMT2AMEN1ATM
SCHEMBL29271032 0.80 KLKB1 (0.48) KLKB1CASP6KMT2AMEN1ATM
SCHEMBL29270995 0.79 KDM4E (0.35) KMT2AMEN1MAPT
SCHEMBL29271050 0.79 KLKB1 (0.47) KLKB1CASP6KMT2AMEN1ATM
SCHEMBL29271030 0.79 GAA (0.39) KLKB1CASP6KMT2AMEN1ATM
SCHEMBL29271047 0.76 KLKB1 (0.34) KLKB1KMT2AMEN1MAPT
SCHEMBL29271004 0.76 KLKB1 (0.42) 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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