SCHEMBL7334969

SCHEMBL7334969

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.55
MAPT P10636 6/20 0.46
POLB P06746 3/20 0.46
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CAPN1 P07384 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 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
SCHEMBL6795739 0.85 HSD11B1 (0.49) HSD11B1MAPTPOLBTP53SMN1; SMN2
SCHEMBL7342790 0.84 HSD11B1 (0.58) HSD11B1MAPTPOLB
SCHEMBL6541814 0.83 HSD11B1 (0.52) HSD11B1MAPTPOLBTP53CYP3A4
SCHEMBL6541132 0.83 HSD11B1 (0.50) HSD11B1MAPTPOLBTP53SMN1; SMN2
SCHEMBL7343733 0.83 HSD11B1 (0.57) HSD11B1MAPTPOLBTP53ALDH1A1
SCHEMBL7831589 0.83 HSD11B1 (0.49) HSD11B1MAPTPOLBTP53SMN1; SMN2
SCHEMBL6542210 0.82 HSD11B1 (0.49) HSD11B1MAPTPOLBTP53ALDH1A1
SCHEMBL6542067 0.82 HSD11B1 (0.49) HSD11B1MAPTPOLBTP53SMN1; SMN2
SCHEMBL6542769 0.82 HSD11B1 (0.49) HSD11B1MAPTPOLBTP53SMN1; SMN2
SCHEMBL6542054 0.82 HSD11B1 (0.52) HSD11B1MAPTPOLBTP53ALDH1A1

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
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