SCHEMBL29271032

SCHEMBL29271032

O=C(Cl)c1cn(Cc2ccc(Cl)nc2)nc1C(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.48
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CASP6 P55212 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29271050 0.91 KLKB1 (0.47) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL29271006 0.80 KLKB1 (0.39) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL29271035 0.78 KLKB1 (0.40) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL29271026 0.76 KLKB1 (0.38) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL29271034 0.76 KLKB1 (0.38) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL21954006 0.74 KLKB1 (0.47) KLKB1
SCHEMBL4230722 0.74 KLKB1 (0.40) KLKB1GAAMAPTKMT2AMEN1
SCHEMBL24105396 0.73 BTK (0.47) KLKB1
SCHEMBL20531560 0.71 KLKB1 (0.47) KLKB1ALDH1A1L3MBTL1
SCHEMBL16247001 0.71 KLKB1 (0.72) 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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