SCHEMBL7460947

SCHEMBL7460947

Cc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
PTGER1 P34995 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
TP53 P04637 1/20 0.32
PPARA Q07869 1/20 0.32
RAPGEF3 O95398 1/20 0.32
PTGER3 P43115 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL7463599 0.96 L3MBTL1 (0.36) L3MBTL1TDP1TP53KDM4ESMN1; SMN2
SCHEMBL7458051 0.94 L3MBTL1 (0.35) L3MBTL1PTGER1TP53KDM4EALDH1A1
SCHEMBL7462120 0.94 HTR6 (0.34) L3MBTL1PTGDR2
SCHEMBL7464601 0.93 PTGER1 (0.33) L3MBTL1PTGER1PTGDR2
SCHEMBL7468910 0.93 PTGER3 (0.35) L3MBTL1PTGER1RAPGEF3PTGER3ALDH1A1
SCHEMBL7462639 0.93 EGFR (0.34) L3MBTL1TDP1TP53RAPGEF3PTGER3
SCHEMBL7461635 0.92 RAPGEF3 (0.35) L3MBTL1TDP1TP53RAPGEF3KDM4E
SCHEMBL7463725 0.92 KMT2A (0.42) L3MBTL1GAA
SCHEMBL7460136 0.91 MEN1 (0.33) TP53
SCHEMBL7460235 0.91 PTGER3 (0.34) TP53RAPGEF3PTGER3ALDH1A1LMNA

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