SCHEMBL7335669

SCHEMBL7335669

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
MAPT P10636 8/20 0.48
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7342790 0.93 HSD11B1 (0.58) HSD11B1MAPTPOLB
SCHEMBL7336087 0.86 HSD11B1 (0.52) HSD11B1MAPTPOLBTP53MEN1
SCHEMBL7339659 0.85 HSD11B1 (0.54) HSD11B1MAPTPOLBTP53
SCHEMBL7341323 0.83 HSD11B1 (0.49) HSD11B1MAPTALDH1A1NPC1RAB9A
SCHEMBL7334097 0.83 HSD11B1 (0.49) HSD11B1MAPTALDH1A1POLBTP53
SCHEMBL7343733 0.82 HSD11B1 (0.57) HSD11B1MAPTALDH1A1POLBTP53
SCHEMBL7343828 0.81 ALDH1A1 (0.52) HSD11B1MAPTALDH1A1NPC1RAB9A
SCHEMBL7340189 0.81 EDNRB (0.40) HSD11B1ALDH1A1POLBKMT2A
SCHEMBL7333608 0.81 CHRM5 (0.42) ALDH1A1POLBKMT2A
SCHEMBL7334114 0.80 HSD11B1 (0.46) HSD11B1MAPTALDH1A1TP53MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed