SCHEMBL4535440

SCHEMBL4535440

COc1ccc(OC)c(Nc2nc3ccc(C)cc3nc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
PIK3CD O00329 5/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.45
LMNA P02545 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4337577 0.91 MAPT (0.50) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL4635644 0.84 PIK3CG (0.45) MAPTPIK3CDTP53
SCHEMBL4339120 0.82 PIK3CG (0.51) MAPTPIK3CDTP53
SCHEMBL4351831 0.82 MEN1 (0.47) MAPTPIK3CDKMT2AMEN1NPC1
SCHEMBL4341730 0.79 PIK3CD (0.49) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL4481357 0.78 MAPT (0.50) MAPTKMT2AMEN1NPC1TP53
SCHEMBL189032 0.77 MAPT (0.73) MAPTPIK3CDKMT2AMEN1ALDH1A1
SCHEMBL3690864 0.77 PIK3CG (0.50) MAPTPIK3CDTP53
SCHEMBL4636003 0.76 PIK3CA (0.56) MAPTPIK3CDKMT2AMEN1LMNA
SCHEMBL27901645 0.75 PIK3CD (0.56) MAPTPIK3CDKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO disclosed