SCHEMBL7499337

SCHEMBL7499337

CC(C)=NN=C1NC(=O)C(CC(=O)Nc2cccc(C(=O)O)c2)S1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
GAA P10253 1/20 0.66
MAPT P10636 8/20 0.63
POLB P06746 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
GLA P06280 1/20 0.55
XBP1 P17861 1/20 0.55
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL7499330 1.00 KMT2A (0.68) KMT2AMEN1GAAMAPTPOLB
SCHEMBL3500377 0.88 MAPT (0.63) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7490971 0.88 MAPT (0.63) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7488228 0.88 MAPT (0.63) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7493115 0.88 MAPT (0.63) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7494893 0.88 GAA (0.61) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7494886 0.88 GAA (0.61) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7501001 0.88 TDP1 (0.64) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7500985 0.88 TDP1 (0.64) KMT2AMEN1GAAMAPTPOLB
SCHEMBL7492794 0.84 GAA (0.57) KMT2AMEN1GAAMAPTPOLB

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
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed