SCHEMBL1343683

SCHEMBL1343683

Cc1ccc(N(OCC(C)C)C(=O)CC(=O)Nc2nc(CC(=O)O)c(Sc3ncc[nH]3)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
GCK P35557 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 3/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
PTBP1 P26599 1/20 0.30
HTT P42858 1/20 0.30
MAPK1 P28482 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
SCHEMBL1342841 0.94 MAPT (0.32) MAPTGCKKDM4EPOLBMEN1
SCHEMBL1341249 0.93 GCK (0.33) MAPTGCKALDH1A1KDM4ELMNA
SCHEMBL1342731 0.85 MAPT (0.37) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1343073 0.85 GCK (0.39) MAPTGCKALDH1A1CYP1A2CYP3A4
SCHEMBL1343678 0.83 MAPT (0.35) MAPTGCKCYP1A2CYP3A4CYP2C9
SCHEMBL1343045 0.80 MAPT (0.34) MAPTGCKLMNAMEN1KMT2A
SCHEMBL1341674 0.80 GCK (0.42) MAPTGCKALDH1A1KDM4EPOLB
SCHEMBL1342282 0.80 GAA (0.36) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1341018 0.80 GCK (0.41) MAPTGCKALDH1A1CYP1A2CYP3A4
SCHEMBL1342879 0.80 NPC1 (0.36) MAPTGCKALDH1A1KDM4EPOLB

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