SCHEMBL7464607

SCHEMBL7464607

Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1-c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 5/20 0.33
AKR1C2 P52895 5/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.33
RAPGEF3 O95398 2/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 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
SCHEMBL7463607 0.95 KMT2A (0.37) HSD17B10RAPGEF3KMT2AEGFRMAPT
SCHEMBL7458058 0.94 RAPGEF3 (0.33) HSD17B10RAPGEF3KMT2AEGFRERBB2
SCHEMBL7462646 0.94 RAPGEF3 (0.36) AKR1C3AKR1C2RAPGEF3KMT2AEGFR
SCHEMBL7460951 0.93 RAPGEF3 (0.36) HSD17B10PPARGRAPGEF3KMT2AMAPT
SCHEMBL7468917 0.93 RAPGEF3 (0.34) HSD17B10RAPGEF3
SCHEMBL7463734 0.92 KMT2A (0.43) RAPGEF3KMT2ABCL2MCL1MAPT
SCHEMBL7460145 0.90 MEN1 (0.33) KMT2AMAPT
SCHEMBL7460241 0.90 RAPGEF3 (0.34) RAPGEF3LMNA
SCHEMBL7461643 0.89 RAPGEF3 (0.37) AKR1C3AKR1C2PPARGRAPGEF3MAPT
SCHEMBL7464601 0.88 PTGER1 (0.33) HSD17B10AKR1C3AKR1C2KMT2AEGFR

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