SCHEMBL7465907

SCHEMBL7465907

Cc1ccc(OCC(=O)O)cc1-c1noc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
AGER Q15109 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
S1PR1 P21453 1/20 0.34
FABP4 P15090 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 1/20 0.34
FABP5 Q01469 1/20 0.34
MAPT P10636 3/20 0.33
ADORA2B P29275 2/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL7462493 0.93 KDM4E (0.39) KDM4EALDH1A1HPGDAGERMEN1
SCHEMBL7463612 0.88 AGER (0.35) KDM4EALDH1A1HPGDAGERMEN1
SCHEMBL7460017 0.88 ALDH1A1 (0.32) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7460207 0.87 ALDH1A1 (0.39) KDM4EALDH1A1HPGDTDP1
SCHEMBL7460219 0.87 MCL1 (0.36) KDM4EALDH1A1HPGDAGERMEN1
SCHEMBL7462485 0.86 MAPT (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7465900 0.85 PTGDR2 (0.39) KDM4EPKMPPARDMAPT
SCHEMBL7459571 0.85 AGER (0.35) KDM4EALDH1A1HPGDAGERMEN1
SCHEMBL7461945 0.84 ALDH2 (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7467977 0.83

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 4 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 claimed
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 claimed
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