SCHEMBL7338776

SCHEMBL7338776

CCCOc1ccc2c(c1)S(=O)(=O)N(c1ccc3c(c1)OCO3)C(C(=O)OC)=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.41
EDNRB P24530 5/20 0.41
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7337701 0.94 EDNRA (0.41) EDNRAEDNRBRAB9ANPC1MEN1
SCHEMBL7339606 0.91 EDNRA (0.38) EDNRAEDNRBRAB9ANPC1KMT2A
SCHEMBL7337195 0.87 EDNRA (0.42) EDNRAEDNRBRAB9ANPC1MEN1
SCHEMBL7338551 0.86 ALDH1A1 (0.39) EDNRARAB9ANPC1MEN1KMT2A
SCHEMBL7343148 0.86 HSD11B1 (0.44) EDNRARAB9ANPC1MEN1KMT2A
SCHEMBL7341811 0.84 EDNRA (0.38) EDNRAEDNRBRAB9ANPC1KMT2A
SCHEMBL7336270 0.84 HCRTR2 (0.41) EDNRAEDNRBRAB9ANPC1KMT2A
SCHEMBL7828475 0.82 EDNRA (0.40) EDNRAEDNRBRAB9ANPC1MEN1
SCHEMBL7342754 0.81 EDNRB (0.42) EDNRAEDNRBRAB9ANPC1MEN1
SCHEMBL7817685 0.79 EDNRA (0.37) EDNRAEDNRBRAB9ANPC1KMT2A

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