SCHEMBL7461945

SCHEMBL7461945

COC(=O)C(C)Oc1ccc(C)c(-c2noc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.38
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KLK7 P49862 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 5/20 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
SCHEMBL7460207 0.92 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EPPARG
SCHEMBL7462587 0.90 PPARG (0.30) PPARG
SCHEMBL7462094 0.87 ALDH2 (0.34) ALDH2POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7461938 0.87 PPARG (0.36) ALDH2POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7458117 0.85 POLB (0.36) ALDH2POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL7465907 0.84 KDM4E (0.39) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL7467977 0.84
SCHEMBL7465310 0.81 PPARG (0.34) ALDH2POLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7460017 0.80 ALDH1A1 (0.32) POLBSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL8096320 0.80 PPARG (0.37) ALDH1A1HPGDKDM4EPPARG

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