SCHEMBL7461104

SCHEMBL7461104

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
BRD9 Q9H8M2 3/20 0.32
TNF P01375 1/20 0.30
LITAF Q99732 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
SCHEMBL7467034 0.92 BRD9 (0.37) RXFP1BRD9TNFLITAF
SCHEMBL7458898 0.88 BRD9 (0.36) BRD9
SCHEMBL7458398 0.86 ALPL (0.39) BRD9
SCHEMBL7457701 0.85 ALDH1A1 (0.33) RXFP1BRD9
SCHEMBL7462939 0.85 USP7 (0.33) BRD9
SCHEMBL7453450 0.82 BRD9 (0.34) BRD9
SCHEMBL7460942 0.82 BRD9 (0.32) BRD9
SCHEMBL7463238 0.81 ROCK2 (0.30) BRD9
SCHEMBL7458904 0.81 PTGS2 (0.36) BRD9
SCHEMBL7453376 0.81 POLB (0.33)

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