SCHEMBL30877400

SCHEMBL30877400

Cc1ccc(S(=O)(=O)n2cccc2-c2cnn(CCC3COC3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.40
HTR6 P50406 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
ALOX5 P09917 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
ALDH3A1 P30838 1/20 0.32
HTT P42858 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ACHE P22303 1/20 0.32
KLK7 P49862 2/20 0.32

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
SCHEMBL30877474 0.90 RAPGEF4 (0.41) RAPGEF4HTR6L3MBTL1MAPTNPSR1
SCHEMBL30877505 0.85 KLK7 (0.34) HTR6NPSR1ALDH1A1KLK7
SCHEMBL30877298 0.82 RAPGEF4 (0.40) RAPGEF4HTR6L3MBTL1MAPTNPSR1
SCHEMBL30877275 0.82 RAPGEF4 (0.45) RAPGEF4HTR6L3MBTL1MAPTCA1
SCHEMBL30877450 0.81 RAPGEF4 (0.41) RAPGEF4HTR6L3MBTL1MAPTNPSR1
SCHEMBL30877418 0.81 RAPGEF4 (0.43) RAPGEF4HTR6L3MBTL1MAPTCA1
SCHEMBL30877392 0.80 RAPGEF4 (0.48) RAPGEF4HTR6L3MBTL1MAPTNPSR1
SCHEMBL30877299 0.79 HTR6 (0.42) RAPGEF4HTR6L3MBTL1CA1CA2
SCHEMBL30877318 0.77 RAPGEF4 (0.44) RAPGEF4HTR6L3MBTL1MAPTCA1
SCHEMBL30877493 0.77 RAPGEF4 (0.40) RAPGEF4HTR6L3MBTL1MAPTCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed