SCHEMBL7468039

SCHEMBL7468039

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2B P29275 6/20 0.34
MCL1 Q07820 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ADORA2A P29274 5/20 0.33
SLC22A12 Q96S37 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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 0.90 AGER (0.35) KDM4EMEN1KMT2ATDP1NR4A1
SCHEMBL7467248 0.85 TP53 (0.32) KDM4EHPGDMAPTL3MBTL1ADORA2B
SCHEMBL7468025 0.84 PTGDR2 (0.41) KDM4EMEN1KMT2ATDP1NR4A1
SCHEMBL7468473 0.84 FABP4 (0.35) KDM4EMEN1KMT2ANR4A1APEX1
SCHEMBL7454798 0.83 PPARD (0.35) KDM4EMEN1KMT2ATDP1NR4A1
SCHEMBL7457052 0.83 POLB (0.38) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL7463397 0.81 ADORA2A (0.34) MEN1KMT2ANR4A1APEX1ADORA2B
SCHEMBL7462830 0.80 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL7458882 0.80 POLB (0.41) MEN1KMT2ANR4A1APEX1ALDH1A1
SCHEMBL7460951 0.79 RAPGEF3 (0.36) KDM4EKMT2AALDH1A1MAPTHSD17B10

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