SCHEMBL7454559

SCHEMBL7454559

Cc1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(CC(C)C)c3=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.32
RXRA P19793 1/20 0.30

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
SCHEMBL7462471 0.88 AR (0.35) ALDH1A1
SCHEMBL7459459 0.84 LMNA (0.32) ALDH1A1
SCHEMBL7459650 0.84
SCHEMBL7463162 0.84 AR (0.33)
SCHEMBL7462566 0.84 AR (0.40) RGS4RGS8
SCHEMBL6771354 0.82 TP53 (0.32)
SCHEMBL7455108 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7462903 0.73
SCHEMBL7463776 0.72
SCHEMBL7463772 0.72

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