SCHEMBL7343148

SCHEMBL7343148

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
EDNRA P25101 1/20 0.41
HPGD P15428 2/20 0.41
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SHMT2 P34897 1/20 0.36
TP53 P04637 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL7338551 0.92 ALDH1A1 (0.39) HSD11B1EDNRAHPGDHCRTR2ALDH1A1
SCHEMBL7339606 0.90 EDNRA (0.38) HSD11B1EDNRAHCRTR2ALDH1A1KDM4E
SCHEMBL7341811 0.90 EDNRA (0.38) HSD11B1EDNRAHCRTR2ALDH1A1KDM4E
SCHEMBL7336270 0.89 HCRTR2 (0.41) HSD11B1EDNRAHPGDHCRTR2ALDH1A1
SCHEMBL7822983 0.86 EDNRA (0.41) HSD11B1EDNRAHPGDHCRTR2ALDH1A1
SCHEMBL7337701 0.86 EDNRA (0.41) EDNRASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7338776 0.86 EDNRA (0.41) EDNRASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7334097 0.84 HSD11B1 (0.49) HSD11B1EDNRAHPGDHCRTR2ALDH1A1
SCHEMBL6542054 0.82 HSD11B1 (0.52) HSD11B1EDNRAHPGDALDH1A1TP53
SCHEMBL7336961 0.82 HPGD (0.47) HSD11B1EDNRAHPGDHCRTR2ALDH1A1

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-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