SCHEMBL2650844

SCHEMBL2650844

CC(C)COc1ccccc1NC(=O)C(=O)Nc1nc(CNS(C)(=O)=O)c(Br)s1.CC(C)COc1ccccc1NC(=O)C(=O)Nc1nc(CNS(C)(=O)=O)c(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
PAX8 Q06710 1/20 0.31
PIN1 Q13526 1/20 0.31
GCK P35557 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APAF1 O14727 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1340324 0.95 SLC2A1 (0.37) SLC2A1SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL1341862 0.95 SLC2A1 (0.37) SLC2A1SMN1; SMN2MAPTHSD17B10IRAK4
SCHEMBL2650841 0.92 SMN1; SMN2 (0.32) SLC2A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1340874 0.87 KDM4E (0.38) SLC2A1SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL1341724 0.87 KDM4E (0.38) SLC2A1SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL1343475 0.85 GCK (0.42) MYCMAXGCK
SCHEMBL1342441 0.85 MKNK2 (0.36) MYCMAXGCK
SCHEMBL1343582 0.84 SLC2A1 (0.37) SLC2A1SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL1343079 0.84 MYC (0.37) SLC2A1MAPTHSD17B10KMT2AMEN1
SCHEMBL1340361 0.84 MYC (0.37) SMN1; SMN2MAPTKMT2AMEN1MYC

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed