SCHEMBL7459329

SCHEMBL7459329

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3onc(Cl)c3c2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
F10 P00742 4/20 0.32
F2 P00734 3/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL7461603 0.87 LPAR5 (0.39) F10F2BRD4BRD2BRD3
SCHEMBL7459811 0.85 LPAR5 (0.34) F10F2LPAR5
SCHEMBL7458152 0.82 NPC1 (0.45) NPC1RAB9A
SCHEMBL7469056 0.81 LPAR5 (0.30) LPAR5
SCHEMBL7466745 0.81 BRD9 (0.36) F10F2LPAR5NPC1LMNA
SCHEMBL7468313 0.80 PKM (0.39) F10F2LPAR5LMNA
SCHEMBL7457641 0.80
SCHEMBL7458109 0.79 HSP90AA1 (0.39) HSP90AA1F10F2NPC1RAB9A
SCHEMBL7458121 0.78 ESR1 (0.46) HSP90AA1F10F2NPC1RAB9A
SCHEMBL7465310 0.78 PPARG (0.34) F10F2LPAR5TP53

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