SCHEMBL7467248

SCHEMBL7467248

Cc1ccc(OCC(=O)OCC(=O)O)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
AGER Q15109 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 2/20 0.30
ADORA2B P29275 2/20 0.30
MAPT P10636 2/20 0.30
ADORA2A P29274 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7459571 0.95 AGER (0.35) AGERKDM4EPOLBADORA2BMAPT
SCHEMBL8339745 0.90 CYP1A2 (0.35) TP53HPGD
SCHEMBL7454798 0.88 PPARD (0.35) AGERKDM4EPOLBMAPTHPGD
SCHEMBL7467239 0.87 PTGDR2 (0.34)
SCHEMBL7462830 0.87 ALDH1A1 (0.31) TP53MAPT
SCHEMBL7468473 0.85 FABP4 (0.35) TP53AGERKDM4EPOLBADORA2B
SCHEMBL7460145 0.85 MEN1 (0.33) MAPT
SCHEMBL7468039 0.85 KDM4E (0.39) KDM4EGAAHSD17B10ADORA2BMAPT
SCHEMBL7461743 0.85
SCHEMBL8100008 0.84 MAPT (0.34) MAPT

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-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed