SCHEMBL29548843

SCHEMBL29548843

Cc1ccc(S(=O)(=O)n2ccc3c(Cl)cc(Br)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
BRD4 O60885 1/20 0.44
PKM P14618 3/20 0.40
HPGD P15428 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
RAPGEF4 Q8WZA2 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
ALDH3A1 P30838 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL28721164 1.00 L3MBTL1 (0.49) L3MBTL1BRD4PKMHPGDABL1
SCHEMBL29514184 0.87 L3MBTL1 (0.51) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL29721803 0.87 L3MBTL1 (0.51) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL23148024 0.87 L3MBTL1 (0.51) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL23147830 0.87 L3MBTL1 (0.51) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL23147749 0.85 L3MBTL1 (0.47) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL28685402 0.82 L3MBTL1 (0.49) L3MBTL1BRD4PKMHPGDABL1
SCHEMBL28926426 0.81 L3MBTL1 (0.45) L3MBTL1BRD4PKMHPGDRAPGEF4
SCHEMBL31246107 0.81 L3MBTL1 (0.50) L3MBTL1BRD4PKMHPGDABL1
SCHEMBL28926488 0.80 RAPGEF4 (0.41) L3MBTL1RAPGEF4ALDH1A1MAPTHTT

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-110041253-B Pyridine N-oxide derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-03-29 CN disclosed