SCHEMBL2302372

SCHEMBL2302372

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccsc2C(=O)O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TNF P01375 1/20 0.46
LMNA P02545 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
POLB P06746 1/20 0.46
PIK3CG P48736 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
PIK3CD O00329 4/20 0.45
FABP4 P15090 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44

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
SCHEMBL2300182 0.85 PIK3CD (0.60) MAPTKMT2AMEN1PIK3CGPIK3CD
SCHEMBL2304596 0.83 PIK3CG (0.60) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL1936834 0.78 PPARG (0.61) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2300703 0.78 PIK3CD (0.60) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL4347409 0.77 PIK3CD (0.58) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL2300765 0.75 PIK3CG (0.60) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL189862 0.74 MAPT (0.69) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL188337 0.72 MEN1 (0.66) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL4484711 0.71 PIK3CG (0.57) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4338570 0.70 PIK3CG (0.58) MAPTKMT2AMEN1KDM4ELMNA

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-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed