SCHEMBL5217976

SCHEMBL5217976

Cc1cc2sc(OC(=O)Nc3nn[nH]n3)c(Oc3ccc(C4CCCCC4)cc3)c2cc1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.37
MPO P05164 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PIK3CD O00329 1/20 0.37
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.34
GAA P10253 1/20 0.34
GIPR P48546 2/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 2/20 0.32
ITK Q08881 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31

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
SCHEMBL5215860 0.83 PIK3CD (0.44) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL5215051 0.83 PIK3CD (0.43) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL5211776 0.81 PIK3CD (0.45) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL5212891 0.81 PIK3CD (0.47) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL5217315 0.79 PIK3CD (0.43) MPOCYSLTR1PIK3CDPKM
SCHEMBL5212507 0.77 PIK3CD (0.43) MPOCYSLTR1PIK3CDPKMGAA
SCHEMBL5218139 0.77 PIK3CD (0.43) MPOCYSLTR1PIK3CDPKM
SCHEMBL5211464 0.75 PIK3CD (0.42) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL5212435 0.75 PIK3CD (0.42) GCGRMPOCYSLTR1PIK3CDPKM
SCHEMBL4768732 0.74 ACMSD (0.40) SMN1; SMN2MAPTHIF1A

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
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP claimed