SCHEMBL8211538

SCHEMBL8211538

CC(C)(c1cc(N)nc(-c2ccc(NC(N)=O)cc2)n1)S(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.44
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTOR P42345 2/20 0.36
GLA P06280 1/20 0.35
PEPD P12955 1/20 0.35
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL11926868 0.83 MEN1 (0.37) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8219682 0.83 MEN1 (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8206742 0.82 EPHX1 (0.45) ALDH1A1CYP2C19NPC1
SCHEMBL8217031 0.81 KIF11 (0.44) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8206578 0.81 PIK3CD (0.46) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8204574 0.80 KIF11 (0.43) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL11926137 0.80 FPR2 (0.46) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8213981 0.79 KIF11 (0.42) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8217184 0.79 KIF11 (0.42) KIF11ALDH1A1MEN1MAPTHPGD
SCHEMBL8211522 0.77 KIF11 (0.44) KIF11ALDH1A1MEN1MAPTHPGD

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-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed