SCHEMBL28565985

SCHEMBL28565985

Cc1ccc(S(=O)(=O)N2CC(I)C(=O)c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.60
▸ KCNA3 P22001 2/20 0.60
▸ MMP2 P08253 2/20 0.48
▸ LMNA P02545 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ VDR P11473 1/20 0.40

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
SCHEMBL28565008 0.85 KCNN4 (0.59) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL28556866 0.85 KCNN4 (0.59) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL28857559 0.79 KCNN4 (0.52) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL19149798 0.78 KCNN4 (0.56) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL8673020 0.78 KCNN4 (0.56) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL28665779 0.77 KCNA3 (0.89) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL28448934 0.77 KCNN4 (0.49) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL9175239 0.76 KCNN4 (0.48) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL3034555 0.75 KCNA3 (1.00) KCNN4KCNA3MMP2LMNANPSR1
SCHEMBL768700 0.75 KCNN4 (0.67) KCNN4KCNA3MMP2LMNANPSR1

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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