SCHEMBL7468910

SCHEMBL7468910

Cc1ccc(OCC(=O)NS(=O)(=O)c2cccc(Cl)c2)c(-c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.35
PTGER1 P34995 3/20 0.34
PLA2G10 O15496 1/20 0.33
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAPGEF3 O95398 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
SCHEMBL7462120 0.93 HTR6 (0.34) MAPTL3MBTL1
SCHEMBL7464601 0.93 PTGER1 (0.33) PTGER1MAPTL3MBTL1
SCHEMBL7460947 0.93 L3MBTL1 (0.35) PTGER3PTGER1L3MBTL1ALDH1A1RAPGEF3
SCHEMBL7463599 0.92 L3MBTL1 (0.36) L3MBTL1
SCHEMBL7460026 0.90 KMT2A (0.37) MAPTL3MBTL1ALDH1A1
SCHEMBL7458051 0.90 L3MBTL1 (0.35) PTGER1L3MBTL1ALDH1A1
SCHEMBL7460235 0.89 PTGER3 (0.34) PTGER3PLA2G10ALDH1A1RAPGEF3
SCHEMBL7468917 0.89 RAPGEF3 (0.34) PTGER3PLA2G10ALDH1A1RAPGEF3
SCHEMBL7462639 0.89 EGFR (0.34) PTGER3MAPTL3MBTL1ALDH1A1RAPGEF3
SCHEMBL7460136 0.88 MEN1 (0.33)

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