SCHEMBL28549772

SCHEMBL28549772

Cc1ccc(S(=O)(=O)N2CC(Br)C(=O)c3cc(C)c(C)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.47
▸ KCNN4 O15554 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GAA P10253 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL28549773 0.88 MMP2 (0.48) MMP2KCNN4KCNA3CA1CA2
SCHEMBL28565008 0.84 KCNN4 (0.59) MMP2KCNN4KCNA3CA1CA2
SCHEMBL28556783 0.84 MAPT (0.44) MMP2KCNN4KCNA3CA1CA2
SCHEMBL28556938 0.84 MMP2 (0.43) MMP2KCNN4KCNA3CA1CA2
SCHEMBL19149798 0.72 KCNN4 (0.56) MMP2KCNN4KCNA3CA1CA2
SCHEMBL28565985 0.69 KCNN4 (0.60) MMP2KCNN4KCNA3CA1CA2
SCHEMBL7615647 0.69 MMP2 (0.54) MMP2KCNN4KCNA3CA1CA2
SCHEMBL7615641 0.69 MMP2 (0.54) MMP2KCNN4KCNA3CA1CA2
SCHEMBL7615650 0.69 MMP2 (0.54) MMP2KCNN4KCNA3CA1CA2
SCHEMBL28556866 0.68 KCNN4 (0.59) MMP2KCNN4KCNA3CA1CA2

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-107903211-B Preparation method of 3-halogenated-2, 3-dihydro-4-quinolinone 上海应用技术大学 2021-05-11 — — CN disclosed
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