SCHEMBL5747233

SCHEMBL5747233

COc1ccc(C2SCC(=O)N2CCC(C)CC(=O)NO)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
GAA P10253 3/20 0.57
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.52
KCNA5 P22460 3/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5745406 0.90 PTGS1 (0.67) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL16209660 0.71 KMT2A (0.78) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL5747229 0.71 KMT2A (0.53) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL5155020 0.70 PTGS1 (0.74) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL3546909 0.69 PTGS1 (0.58) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL5745404 0.68 PTGS2 (0.53) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL8633582 0.68 PTGS1 (0.62) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL2101055 0.68 PTGS1 (0.55) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL3742399 0.67 KCNA5 (1.00) PTGS1PTGS2GAAKMT2AL3MBTL1
SCHEMBL5155105 0.67 PTGS1 (0.67) PTGS1PTGS2GAAKMT2AL3MBTL1

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