SCHEMBL10044927

SCHEMBL10044927

COCCOCCOc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)cc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
PIK3CG P48736 9/20 0.52
PIK3CD O00329 6/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MTOR P42345 1/20 0.47
PRKDC P78527 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 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
SCHEMBL2731738 0.90 PIK3CG (0.60) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2721975 0.87 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4288631 0.86 PIK3CG (0.59) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL10044550 0.86 PIK3CG (0.53) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2722453 0.85 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4296830 0.85 PIK3CG (0.54) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4300600 0.84 MAPT (0.54) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4291799 0.84 PIK3CG (0.53) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL2732827 0.83 PIK3CG (0.65) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL15193671 0.83 NPC1 (0.39) MAPTPIK3CGPIK3CDMEN1KMT2A

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
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO disclosed