SCHEMBL1344161

SCHEMBL1344161

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(C(=O)Nc2nncs2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNMA1 Q12791 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL1342127 0.87 TP53 (0.56) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343580 0.86 TP53 (0.45) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343141 0.85 GAA (0.55) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343063 0.84 TP53 (0.52) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343130 0.84 TP53 (0.50) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1342608 0.83 TP53 (0.52) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343194 0.83 TP53 (0.52) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1341691 0.82 TP53 (0.44) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1342657 0.82 TP53 (0.51) TP53GAARAB9ANPC1SMN1; SMN2
SCHEMBL1343843 0.81 TP53 (0.47) TP53GAARAB9ANPC1SMN1; SMN2

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
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed