Hydrochlorthiazide

Hydrochlorthiazide

SCHEMBL459506

Cc1nc(NC(=O)CCOCCOCCOCCOCCN)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1.c1cscn1

nearest known ligand 0.48

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.48
▸ PIK3CG P48736 14/20 0.48
▸ PIK3CA P42336 10/20 0.48
▸ PIK3CB P42338 8/20 0.48
▸ PI4KB Q9UBF8 7/20 0.47
▸ PIK3C3 Q8NEB9 3/20 0.47
▸ PIK3C2A O00443 1/20 0.47
▸ PIK3C2B O00750 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PRKDC P78527 1/20 0.47

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
SCHEMBL436324 0.93 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Hydrochloric Acid SCHEMBL435504 0.92 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL435741 0.80 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL434648 0.77 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222907 0.75 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222887 0.75 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48762 0.75 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL21301610 0.74 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL30792275 0.74 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL14384982 0.74 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153389-B2 Methods for the identification of PI3K interacting molecules and for the purification of PI3K Cellzone AG (DE) 2012-04-10 — — US disclosed
EP-2410062-A1 Selectivity profiling of PI3K interacting molecules against multiple targets CELLZOME AG (DE) 2012-01-25 — — EP disclosed
EP-2245181-B1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-10-12 — — EP disclosed
US-20110111972-A1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-05-12 — — US disclosed
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