SCHEMBL7466745

SCHEMBL7466745

COc1ccccc1Oc1noc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.36
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
NTRK2 Q16620 1/20 0.34
BCAT1 P54687 3/20 0.34
LPAR5 Q9H1C0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCAT2 O15382 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7459811 0.89 LPAR5 (0.34) BRD9LPAR5F2F10
SCHEMBL7468314 0.88 POLB (0.35) SMN1; SMN2L3MBTL1MEN1KMT2AMAPT
SCHEMBL7465310 0.86 PPARG (0.34) LPAR5SMN1; SMN2GAAMAPTTP53
SCHEMBL7469056 0.83 LPAR5 (0.30) LPAR5
SCHEMBL7459329 0.81 HSP90AA1 (0.33) LPAR5TP53NPC1LMNAF2
SCHEMBL7458857 0.80 BRD9 (0.36) BRD9LPAR5MAPTNR4A2F2
SCHEMBL7461603 0.80 LPAR5 (0.39) LPAR5NPC1F2F10
SCHEMBL7458152 0.80 NPC1 (0.45) NR4A2NPC1CASP3SENP8SENP7
SCHEMBL7468313 0.80 PKM (0.39) LPAR5MEN1KMT2AMAPTALDH1A1
SCHEMBL7458869 0.79 PTGS2 (0.38) BRD9LPAR5MAPTTP53NR4A2

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