SCHEMBL19252643

SCHEMBL19252643

BC1(NC(C)C2=Nc3ncccc3S(=O)(=O)N2c2ccccc2)CCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 15/20 0.39
PIK3CD O00329 14/20 0.39
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CB P42338 4/20 0.31
PIK3CG P48736 4/20 0.31
PIK3CA P42336 2/20 0.31
GRM4 Q14833 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
SCHEMBL19252651 0.80 PIK3CD (0.36) PIK3R1PIK3CD
SCHEMBL19252625 0.79 PIK3R1 (0.43) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252639 0.71 PIK3R1 (0.41) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251619 0.70 PIK3CD (0.59) PIK3R1PIK3CDLMNASMN1; SMN2PIK3CB
SCHEMBL19252660 0.69 PIK3R1 (0.36) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252620 0.69 PIK3R1 (0.79) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19251635 0.69 PIK3R1 (0.79) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL19252633 0.67 SLC40A1 (0.37) PIK3R1PIK3CDLMNAGRM4
SCHEMBL19252647 0.66 PIK3R1 (0.37) PIK3R1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL30604520 0.64 PIK3CD (0.37) PIK3R1PIK3CDGRM4

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