SCHEMBL7459571

SCHEMBL7459571

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.35
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
PKM P14618 1/20 0.34
PPARD Q03181 9/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 2/20 0.32
ADORA2B P29275 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL7467248 0.95 TP53 (0.32) AGERKDM4EPOLBHPGDMAPT
SCHEMBL7454798 0.94 PPARD (0.35) AGERNR4A1APEX1PKMPPARD
SCHEMBL7468473 0.91 FABP4 (0.35) AGERNR4A1APEX1PPARDMEN1
SCHEMBL7468039 0.90 KDM4E (0.39) NR4A1APEX1PPARDMEN1KMT2A
SCHEMBL7462830 0.90 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL7460145 0.89 MEN1 (0.33) MEN1KMT2AMAPT
SCHEMBL7456814 0.89 PPARD (0.36) PKMPPARDMEN1KMT2AALDH1A1
SCHEMBL7461743 0.88
SCHEMBL7463397 0.88 ADORA2A (0.34) AGERNR4A1APEX1PPARDMEN1
SCHEMBL8339745 0.87 CYP1A2 (0.35) MEN1KMT2AHPGD

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 6 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
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US 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
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed