SCHEMBL1343733

SCHEMBL1343733

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CCNC(=O)NCC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
AURKA O14965 4/20 0.45
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNMA1 Q12791 1/20 0.39
PKM P14618 1/20 0.38
AURKB Q96GD4 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL6697382 0.90 TP53 (0.47) TP53GAAAURKAKMT2ASMN1; SMN2
SCHEMBL1342960 0.90 TP53 (0.47) TP53GAAAURKAKMT2APOLB
SCHEMBL6700223 0.90 TP53 (0.44) TP53GAAAURKAKMT2APOLB
SCHEMBL1343039 0.89 TP53 (0.46) TP53GAAAURKAKMT2ASMN1; SMN2
SCHEMBL6701832 0.89 TP53 (0.48) TP53GAAAURKAKMT2APOLB
SCHEMBL1343466 0.88 TP53 (0.45) TP53GAAAURKAKMT2ASMN1; SMN2
SCHEMBL1343107 0.87 TP53 (0.49) TP53GAAAURKAKMT2APOLB
SCHEMBL1343075 0.86 TP53 (0.53) TP53GAAAURKAKMT2APOLB
SCHEMBL6702451 0.85 TP53 (0.46) TP53GAAAURKAKMT2ASMN1; SMN2
SCHEMBL1343194 0.85 TP53 (0.52) TP53GAAKMT2ASMN1; SMN2HTT

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 3 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
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed