SCHEMBL28639441

SCHEMBL28639441

Cc1ccccc1S(=O)(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cc(C3CC3)nc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
KLK7 P49862 1/20 0.33
FABP4 P15090 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL28657465 0.86 RAPGEF4 (0.37) RAPGEF4KLK7FABP4PIK3C3
SCHEMBL28639443 0.81 CYP2C19 (0.33)
SCHEMBL20443037 0.72
SCHEMBL28802486 0.72 PIK3C3 (0.48) RAPGEF4FABP4PIK3C3
SCHEMBL26720584 0.70 L3MBTL1 (0.44) RAPGEF4
SCHEMBL23403832 0.69 RAPGEF4 (0.36) RAPGEF4FABP4PIK3C3
SCHEMBL31465621 0.69 RAPGEF4 (0.36) RAPGEF4FABP4PIK3C3
SCHEMBL28852705 0.69 FABP4 (0.45) RAPGEF4KLK7FABP4
SCHEMBL14677903 0.68 RAPGEF4 (0.33) RAPGEF4KLK7PIK3C3
SCHEMBL14678605 0.68 CYP3A4 (0.35) RAPGEF4KLK7PIK3C3

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-110198941-B Pyrrolopyridine N-oxide derivative and preparation method and application thereof 江苏豪森药业集团有限公司 2021-09-28 CN disclosed