SCHEMBL8096452

SCHEMBL8096452

CC(SCc1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL7461484 0.90 MEN1 (0.31) MEN1KMT2A
SCHEMBL7462956 0.86 CMA1 (0.31) ALDH1A1POLBGAA
SCHEMBL7463114 0.85 POLB (0.37) ALDH1A1POLBGAA
SCHEMBL7458167 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7461878 0.84 AKR1B1 (0.35) ALDH1A1POLBGAA
SCHEMBL7458602 0.84
SCHEMBL8096429 0.83
SCHEMBL6771342 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7461211 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL7457439 0.82 CMA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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