SCHEMBL4337577

SCHEMBL4337577

COc1ccc(OC)c(Nc2nc3ccccc3nc2-c2cc(C)ccc2S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
PIK3CD O00329 5/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PIK3CG P48736 1/20 0.45
NPC1 O15118 1/20 0.44
SHMT2 P34897 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
SCHEMBL4535440 0.91 MAPT (0.49) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL4635644 0.82 PIK3CG (0.45) MAPTPIK3CDTP53PIK3CG
SCHEMBL4341730 0.80 PIK3CD (0.49) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL4351831 0.79 MEN1 (0.47) MAPTPIK3CDKMT2AMEN1TP53
SCHEMBL4339120 0.79 PIK3CG (0.51) MAPTPIK3CDTP53PIK3CG
SCHEMBL27901645 0.78 PIK3CD (0.56) MAPTPIK3CDKMT2AMEN1TP53
SCHEMBL3690864 0.76 PIK3CG (0.50) MAPTPIK3CDTP53PIK3CG
SCHEMBL4019884 0.76 MAPT (0.54) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL2300757 0.76 PIK3CG (0.72) MAPTPIK3CDKMT2APIK3CG
SCHEMBL4481357 0.75 MAPT (0.50) MAPTKMT2AMEN1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed