SCHEMBL19252625

SCHEMBL19252625

CC(N)C1=Nc2ncccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 17/20 0.43
PIK3CD O00329 16/20 0.43
SLC40A1 Q9NP59 1/20 0.36
PIK3CB P42338 4/20 0.33
PIK3CG P48736 4/20 0.33
PIK3CA P42336 2/20 0.33
CACNA1H O95180 1/20 0.32
THRB P10828 1/20 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
SCHEMBL19252647 0.83 PIK3R1 (0.37) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252643 0.79 PIK3R1 (0.39) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252633 0.76 SLC40A1 (0.37) PIK3R1PIK3CDSLC40A1THRB
SCHEMBL19252627 0.76 PIK3R1 (0.45) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251619 0.76 PIK3CD (0.59) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29109324 0.75 PIK3CD (0.37) PIK3R1PIK3CDSLC40A1CACNA1H
SCHEMBL30604516 0.75 PIK3CD (0.37) PIK3R1PIK3CDSLC40A1CACNA1H
SCHEMBL19251617 0.75 PIK3CD (0.37) PIK3R1PIK3CDSLC40A1CACNA1H
SCHEMBL30604520 0.75 PIK3CD (0.37) PIK3R1PIK3CDSLC40A1CACNA1H
SCHEMBL19251635 0.75 PIK3R1 (0.79) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA

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
WO-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed