SCHEMBL29271034

SCHEMBL29271034

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.38
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CASP6 P55212 1/20 0.32
▸ CHRM5 P08912 1/20 0.31
▸ GRM2 Q14416 1/20 0.30
▸ GRM3 Q14832 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL29271026 0.85 KLKB1 (0.38) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL29271032 0.76 KLKB1 (0.48) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL29271035 0.75 KLKB1 (0.40) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL29271050 0.75 KLKB1 (0.47) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL29271006 0.69 KLKB1 (0.39) KLKB1KMT2AMEN1ATMCASP6
SCHEMBL24105346 0.67 KLKB1 (0.44) KLKB1KMT2A
SCHEMBL29271043 0.64 KLKB1 (0.37) KLKB1KMT2AMEN1ALDH1A1
SCHEMBL19780484 0.64 KLKB1 (0.44) KLKB1KMT2AMEN1GRM2GAA
SCHEMBL29271045 0.64 KLKB1 (0.40) KLKB1
SCHEMBL24105396 0.63 BTK (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 1 patent. 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 disclosed
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