SCHEMBL7500985

SCHEMBL7500985

CC(C)=N/N=C1\NC(=O)C(CC(=O)Nc2ccc(C(=O)O)cc2)S1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 4/20 0.59
KDM4E B2RXH2 1/20 0.57
XBP1 P17861 1/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL7501001 1.00 TDP1 (0.64) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7493115 0.90 MAPT (0.63) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7488228 0.90 MAPT (0.63) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL3500377 0.90 MAPT (0.63) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7490971 0.90 MAPT (0.63) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7490272 0.89 L3MBTL1 (0.70) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7490274 0.89 L3MBTL1 (0.70) TDP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7494297 0.89 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7494293 0.89 MAPT (0.60) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7491013 0.88 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1POLB

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
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed