SCHEMBL7343733

SCHEMBL7343733

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
MAPT P10636 10/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.87 HSD11B1 (0.58) HSD11B1MAPTPOLB
SCHEMBL7825737 0.85 HSD11B1 (0.52) HSD11B1MAPTTP53POLBKDM4E
SCHEMBL7334969 0.83 HSD11B1 (0.55) HSD11B1MAPTTP53POLBALDH1A1
SCHEMBL7335046 0.82 HSD11B1 (0.56) HSD11B1MAPTTP53POLB
SCHEMBL7339659 0.82 HSD11B1 (0.54) HSD11B1MAPTTP53POLB
SCHEMBL7335669 0.82 HSD11B1 (0.54) HSD11B1MAPTTP53POLBALDH1A1
SCHEMBL7336853 0.82 HSD11B1 (0.55) HSD11B1MAPTTP53POLBHSD17B10
SCHEMBL7336087 0.80 HSD11B1 (0.52) HSD11B1MAPTTP53POLBMEN1
SCHEMBL6542054 0.79 HSD11B1 (0.52) HSD11B1MAPTTP53POLBALDH1A1
SCHEMBL6541814 0.78 HSD11B1 (0.52) HSD11B1MAPTTP53POLBLMNA

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 4 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
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed