SCHEMBL5747229

SCHEMBL5747229

COc1ccc(C2SCC(=O)N2[C@@H](CC(C)C)C(=O)NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
MEN1 O00255 2/20 0.48
GFER P55789 3/20 0.44
HTR7 P34969 2/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNA5 P22460 2/20 0.43
ANPEP P15144 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5745404 0.89 PTGS2 (0.53) KMT2APTGS2PTGS1MEN1GFER
SCHEMBL5747156 0.78 HTT (0.52) KMT2AMEN1HTR7GAAALDH1A1
SCHEMBL5747163 0.78 HTT (0.52) KMT2AMEN1HTR7GAAALDH1A1
SCHEMBL5747158 0.78 HTT (0.52) KMT2AMEN1HTR7GAAALDH1A1
SCHEMBL5747233 0.71 PTGS1 (0.64) KMT2APTGS2PTGS1MEN1GAA
SCHEMBL27666812 0.69 PTGS1 (0.47) KMT2APTGS2PTGS1MEN1GFER
SCHEMBL5745406 0.68 PTGS1 (0.67) KMT2APTGS2PTGS1MEN1GFER
SCHEMBL27666811 0.67 PTGS2 (0.47) KMT2APTGS2PTGS1MEN1GFER
SCHEMBL5746610 0.66 ANPEP (0.41) KMT2AMEN1ANPEPMAPTMAPK1
SCHEMBL5746150 0.65 LMNA (0.43) ANPEP

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
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed