SCHEMBL7465310

SCHEMBL7465310

COC(=O)C(C)Oc1ccccc1Oc1noc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.34
SMN1; SMN2 Q16637 3/20 0.30
POLB P06746 1/20 0.30
F9 P00740 1/20 0.30
PLAU P00749 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
ALDH2 P05091 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
BRAF P15056 1/20 0.30
KLK7 P49862 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL7466745 0.86 BRD9 (0.36) SMN1; SMN2LPAR5F2F10TP53
SCHEMBL7468314 0.83 POLB (0.35) SMN1; SMN2POLBF2F10MAPT
SCHEMBL7461938 0.83 PPARG (0.36) PPARGSMN1; SMN2POLBLPAR5ALDH2
SCHEMBL7469056 0.81 LPAR5 (0.30) LPAR5
SCHEMBL7461945 0.81 ALDH2 (0.38) PPARGSMN1; SMN2POLBALDH2TP53
SCHEMBL7459811 0.79 LPAR5 (0.34) PPARGLPAR5F2F10
SCHEMBL7459329 0.78 HSP90AA1 (0.33) LPAR5F2F10TP53
SCHEMBL7455678 0.77 F9 (0.33) F9PLAU
SCHEMBL3140584 0.77 BCAT1 (0.38)
SCHEMBL7468313 0.76 PKM (0.39) POLBLPAR5F2F10MAPT

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