SCHEMBL29271035

SCHEMBL29271035

CC1(C)CC(=O)C(C(=O)c2cn(Cc3ccc(Cl)nc3)nc2C(F)F)=C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.40
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ WRN Q14191 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL29271043 0.89 KLKB1 (0.37) KLKB1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL29271045 0.87 KLKB1 (0.40) KLKB1HDAC1HDAC6HDAC4HDAC9
SCHEMBL29271006 0.85 KLKB1 (0.39) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL29271048 0.80 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1KDM4ETAAR1
SCHEMBL29271001 0.80 KMT2A (0.39) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL29271014 0.78 ALDH1A1 (0.35) KLKB1ALDH1A1KDM4EMAPTGAA
SCHEMBL29271032 0.78 KLKB1 (0.48) KLKB1KMT2AMEN1ATMALDH1A1
SCHEMBL29271021 0.77 KLKB1 (0.39) KLKB1HDAC1HDAC6HDAC4HDAC9
SCHEMBL29271050 0.77 KLKB1 (0.47) KLKB1KMT2AMEN1ATMALDH1A1
SCHEMBL29271018 0.76 FTO (0.38) 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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