SCHEMBL7468917

SCHEMBL7468917

Cc1ccc(OCC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.34
PTGER3 P43115 2/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.30
PLA2G10 O15496 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
SCHEMBL7464607 0.93 HSD17B10 (0.38) RAPGEF3HSD17B10
SCHEMBL7460951 0.93 RAPGEF3 (0.36) RAPGEF3PTGER3HSD17B10ALDH1A1
SCHEMBL7463607 0.90 KMT2A (0.37) RAPGEF3HSD17B10ALDH1A1
SCHEMBL7460031 0.90 KMT2A (0.37) RAPGEF3ALDH1A1
SCHEMBL7458058 0.90 RAPGEF3 (0.33) RAPGEF3HSD17B10ALDH1A1
SCHEMBL7462646 0.90 RAPGEF3 (0.36) RAPGEF3PTGER3ALDH1A1
SCHEMBL7460241 0.89 RAPGEF3 (0.34) RAPGEF3PTGER3ALDH1A1
SCHEMBL7468910 0.89 PTGER3 (0.35) RAPGEF3PTGER3ALDH1A1PLA2G10
SCHEMBL7461643 0.88 RAPGEF3 (0.37) RAPGEF3ALDH1A1
SCHEMBL7460145 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