SCHEMBL7455671

SCHEMBL7455671

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(-c4ccccc4OCC(=O)O)c3c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.37
PKM P14618 2/20 0.35
ALPL P05186 1/20 0.34
PPARD Q03181 4/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GNRHR P30968 1/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.33
FABP3 P05413 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
UGCG Q16739 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
SCHEMBL7454792 0.91 PKM (0.34) PTGDR2PKMPPARDPPARAALDH1A1
SCHEMBL7459566 0.90 PTGDR2 (0.38) PTGDR2PKMPPARDPPARAALDH1A1
SCHEMBL7456814 0.90 PPARD (0.36) PKMPPARDPPARAALDH1A1MAPT
SCHEMBL7463148 0.88 BRD4 (0.32) ALPLALDH1A1
SCHEMBL7465757 0.88 PPARD (0.33) PTGDR2PKMPPARDPPARAALDH1A1
SCHEMBL7462517 0.88 ALPL (0.32) ALPLALDH1A1MAPTPOLB
SCHEMBL7456076 0.88 ALPL (0.32) ALPL
SCHEMBL7458398 0.87 ALPL (0.39) ALPLALDH1A1MAPTMEN1KMT2A
SCHEMBL7458078 0.86 PDK2 (0.33) PTGDR2PPARDPPARAMEN1KMT2A
SCHEMBL7459571 0.85 AGER (0.35) PKMPPARDPPARAALDH1A1MAPT

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 7 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
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO 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