SCHEMBL7334114

SCHEMBL7334114

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1cc(OC)c2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 5/20 0.39
EDNRA P25101 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7817798 0.89 HSD11B1 (0.41) HSD11B1LMNAMAPK1MAPTMEN1
SCHEMBL7334097 0.88 HSD11B1 (0.49) HSD11B1LMNAMAPK1MAPTKMT2A
SCHEMBL7336087 0.86 HSD11B1 (0.52) HSD11B1MAPK1MAPTMEN1KMT2A
SCHEMBL7337656 0.84 LMNA (0.44) HSD11B1LMNAMAPK1MAPTMEN1
SCHEMBL7341323 0.83 HSD11B1 (0.49) HSD11B1MAPTTP53ALDH1A1L3MBTL1
SCHEMBL7337167 0.83 HCRTR2 (0.41) HSD11B1LMNAMAPK1EDNRASMN1; SMN2
SCHEMBL7336277 0.83 HSD11B1 (0.48) HSD11B1MAPTEDNRATP53SMN1; SMN2
SCHEMBL7342790 0.82 HSD11B1 (0.58) HSD11B1MAPT
SCHEMBL7342900 0.81 ALDH1A1 (0.40) HSD11B1LMNAMAPK1MAPTMEN1
SCHEMBL7340189 0.81 EDNRB (0.40) HSD11B1KMT2AEDNRAALDH1A1

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 3 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
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