SCHEMBL7457048

SCHEMBL7457048

CC(=O)c1cccc(OCc2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.42
MAOA P21397 4/20 0.36
IDE P14735 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 2/20 0.34

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
SCHEMBL7454228 0.88 MAOB (0.43) MAOBMAOAALDH1A1PPARG
SCHEMBL7463814 0.87 PPARG (0.35) MAOBMAOAPPARG
SCHEMBL7465742 0.86 APP (0.33) MAOBMAOA
SCHEMBL7461933 0.83 MAPT (0.34) SMN1; SMN2ALDH1A1
SCHEMBL7457982 0.81 MCHR1 (0.30)
SCHEMBL7466444 0.80 HTR2C (0.40)
SCHEMBL7460879 0.80 PKM (0.34)
SCHEMBL7465859 0.79 MEN1 (0.30) ALDH1A1
SCHEMBL7455042 0.79 BCAT2 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1PPARG
SCHEMBL6771342 0.79 ALDH1A1 (0.31) ALDH1A1

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