SCHEMBL7817798

SCHEMBL7817798

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1cc(OC)c2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EDNRA P25101 4/20 0.39
ABCB1 P08183 5/20 0.39
MAPT P10636 2/20 0.38
HTR7 P34969 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRB P24530 3/20 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
SCHEMBL7824156 0.89 ALDH1A1 (0.46) HSD11B1LMNAMEN1KMT2AEDNRA
SCHEMBL7334114 0.89 HSD11B1 (0.46) HSD11B1LMNAMAPK1MEN1KMT2A
SCHEMBL7827115 0.87 HSD11B1 (0.46) HSD11B1LMNAMAPK1MEN1KMT2A
SCHEMBL7832196 0.84 HSD11B1 (0.43) HSD11B1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL7827530 0.84 HSD11B1 (0.43) HSD11B1EDNRAMAPTALDH1A1L3MBTL1
SCHEMBL7831952 0.84 HSD11B1 (0.52) HSD11B1LMNAMAPT
SCHEMBL7829083 0.82 POLB (0.42) LMNAKMT2AEDNRAALDH1A1EDNRB
SCHEMBL7824055 0.82 POLB (0.42) LMNAKMT2AEDNRAALDH1A1L3MBTL1
SCHEMBL7817130 0.81 EDNRB (0.45) LMNAMAPK1EDNRAMAPTALDH1A1
SCHEMBL7828653 0.78 HSD11B1 (0.48) HSD11B1MAPT

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 1 patent. 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