SCHEMBL29271008

SCHEMBL29271008

Cc1nn(Cc2ccc(Cl)nc2)cc1C(=O)C1=C(O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL29271023 0.87 KLKB1 (0.42) KLKB1
SCHEMBL29271006 0.86 KLKB1 (0.39) KMT2AMEN1ATMCASP6GAA
SCHEMBL29271030 0.81 GAA (0.39) KMT2AMEN1ATMCASP6GAA
SCHEMBL29271004 0.76 KLKB1 (0.42) KLKB1
SCHEMBL29271013 0.74 KLKB1 (0.37) KLKB1
SCHEMBL29271002 0.74 NR3C1 (0.37) KLKB1
SCHEMBL29271045 0.73 KLKB1 (0.40) KLKB1
SCHEMBL29271035 0.72 KLKB1 (0.40) KMT2AMEN1ATMCASP6GAA
SCHEMBL29271010 0.72 MAPT (0.35) KMT2ALMNAGAAMAPTKLKB1
SCHEMBL21954006 0.66 KLKB1 (0.47) 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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