SCHEMBL2649924

SCHEMBL2649924

COc1ccccc1Oc1cc(F)ccc1NC(=O)C(=O)Nc1nc(C(N)S(C)(=O)=O)c(Br)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)C(=O)Nc1nc(CNS(C)(=O)=O)c(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.35
CSNK1D P48730 3/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.31
RORC P51449 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GRM4 Q14833 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
SCHEMBL2649927 0.92 GCK (0.38) GCKCSNK1DMEN1RAB9AKMT2A
SCHEMBL1342970 0.90 GCK (0.41) GCKCSNK1DMEN1RAB9AKMT2A
SCHEMBL1342961 0.89 MEN1 (0.39) CSNK1DMEN1RAB9AKMT2ANPC1
SCHEMBL1342962 0.87 CSNK1D (0.40) CSNK1DMEN1RAB9AKMT2ANPC1
SCHEMBL1342969 0.87 MEN1 (0.39) CSNK1DMEN1RAB9AKMT2ANPC1
SCHEMBL1343610 0.83 CSNK1D (0.41) CSNK1DMEN1RAB9AKMT2ANPC1
SCHEMBL1342285 0.83 CSNK1D (0.43) GCKCSNK1DRAB9ANPC1SCN10A
SCHEMBL2650841 0.83 SMN1; SMN2 (0.32) MEN1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL1342752 0.82 MAPT (0.42) CSNK1DMEN1RAB9AKMT2ANPC1
SCHEMBL2652270 0.81 GCK (0.35) GCKGRM4

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