SCHEMBL7457701

SCHEMBL7457701

COc1ccc(C=O)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
BRD9 Q9H8M2 2/20 0.32
ERO1A Q96HE7 1/20 0.31
FDPS P14324 1/20 0.31
ATM Q13315 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL7458898 0.89 BRD9 (0.36) ALDH1A1BRD9
SCHEMBL7465757 0.88 PPARD (0.33) ALDH1A1
SCHEMBL7458398 0.87 ALPL (0.39) ALDH1A1BRD9
SCHEMBL7467034 0.86 BRD9 (0.37) BRD9RXFP1
SCHEMBL7462939 0.86 USP7 (0.33) ALDH1A1BRD9
SCHEMBL7461104 0.85 RXFP1 (0.33) BRD9RXFP1
SCHEMBL7453450 0.83 BRD9 (0.34) ALDH1A1BRD9
SCHEMBL7460942 0.83 BRD9 (0.32) BRD9
SCHEMBL7458904 0.81 PTGS2 (0.36) BRD9
SCHEMBL7460945 0.81 BRD9 (0.32) BRD9

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