SCHEMBL7460631

SCHEMBL7460631

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TACR1 P25103 1/20 0.31
GRM7 Q14831 1/20 0.31
MDM2 Q00987 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
CTSA P10619 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) GRM8CYP1A2CYP2C9TACR1GRM7
SCHEMBL7460285 0.86 TNF (0.35) GRM8CYP1A2CYP2C9TACR1GRM7
SCHEMBL7460643 0.86 PTGS2 (0.35) CYP1A2CYP2C9BRD9
SCHEMBL7461244 0.83 MEN1 (0.31) CTSA
SCHEMBL7462939 0.83 USP7 (0.33) BRD9CTSA
SCHEMBL7453725 0.83
SCHEMBL7453450 0.81 BRD9 (0.34) GRM8CYP1A2CYP2C9TACR1GRM7
SCHEMBL7459099 0.81 BRD9 (0.36) CYP2C9BRD9
SCHEMBL7462374 0.81 BCAT1 (0.42) CYP2C9
SCHEMBL7458110 0.80 PABPC1 (0.31)

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