SCHEMBL28556783

SCHEMBL28556783

Cc1ccc(S(=O)(=O)N2CC(Br)C(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ KCNN4 O15554 2/20 0.43
▸ KCNA3 P22001 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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 0.90 MMP2 (0.48) MMP2KCNN4KCNA3LMNATP53
SCHEMBL28556938 0.85 MMP2 (0.43) MAPTMMP2KCNN4KCNA3LMNA
SCHEMBL28565008 0.84 KCNN4 (0.59) MMP2KCNN4KCNA3LMNACA1
SCHEMBL28549772 0.84 MMP2 (0.47) MAPTMMP2KCNN4KCNA3LMNA
SCHEMBL27995397 0.78 MAPT (0.50) MAPTMMP2KCNN4KCNA3LMNA
SCHEMBL533706 0.76 MAPT (0.56) MAPTKCNN4KCNA3LMNATP53
SCHEMBL31585998 0.76 MAPT (0.56) MAPTKCNN4KCNA3LMNATP53
SCHEMBL1292014 0.74 ALDH1A1 (0.48) MAPTLMNAGAAMEN1KMT2A
SCHEMBL31585919 0.73 MAPT (0.44) MAPTMMP2KCNN4KCNA3LMNA
SCHEMBL20602223 0.73 MAPT (0.44) MAPTMMP2KCNN4KCNA3LMNA

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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