SCHEMBL7463114

SCHEMBL7463114

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CMA1 P23946 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7461878 0.88 AKR1B1 (0.35) POLBGAACMA1ALDH1A1
SCHEMBL7463177 0.87
SCHEMBL7458167 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8096452 0.85 ALDH1A1 (0.31) POLBGAAALDH1A1
SCHEMBL6771342 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7461211 0.84 ALDH1A1 (0.36) POLBGAACMA1ALDH1A1
SCHEMBL7462956 0.84 CMA1 (0.31) POLBGAACMA1ALDH1A1
SCHEMBL7461484 0.84 MEN1 (0.31)
SCHEMBL7457439 0.83 CMA1 (0.31) CMA1ALDH1A1
SCHEMBL7460879 0.83 PKM (0.34) POLBGAACMA1

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 3 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
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