SCHEMBL2652271

SCHEMBL2652271

CC(C)COc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Br)s1.CC(C)COc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.38
MKNK2 Q9HBH9 4/20 0.33
CSNK1D P48730 1/20 0.32
SCN5A Q14524 3/20 0.32
SCN9A Q15858 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PI4KB Q9UBF8 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1342715 0.95 MKNK2 (0.36) GCKMKNK2CSNK1DSCN9AALDH1A1
SCHEMBL1343155 0.95 GCK (0.41) GCKMKNK2CSNK1DSCN5ASCN9A
SCHEMBL2652270 0.92 GCK (0.35) GCKMKNK2MYCMAX
SCHEMBL1342441 0.88 MKNK2 (0.36) GCKMKNK2SCN9ATRPV1MYC
SCHEMBL1343475 0.88 GCK (0.42) GCKMKNK2SCN5ASCN9ATRPV1
SCHEMBL1340132 0.86 MAPT (0.38) CSNK1DMEN1ALDH1A1LMNAHTT
SCHEMBL1343008 0.86 MAPT (0.38) CSNK1DMEN1ALDH1A1LMNAKMT2A
SCHEMBL1341851 0.86 MKNK2 (0.36) GCKMKNK2CSNK1DALDH1A1TRPV1
SCHEMBL1341724 0.85 KDM4E (0.38) CSNK1DALDH1A1
SCHEMBL1340874 0.85 KDM4E (0.38) CSNK1DALDH1A1LMNA

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