SCHEMBL7827115

SCHEMBL7827115

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
POLB P06746 3/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7831952 0.89 HSD11B1 (0.52) HSD11B1POLBMAPTLMNA
SCHEMBL7817798 0.87 HSD11B1 (0.41) HSD11B1MAPTMEN1KMT2AMAPK1
SCHEMBL7336087 0.86 HSD11B1 (0.52) HSD11B1POLBHTTMAPTMEN1
SCHEMBL7832196 0.82 HSD11B1 (0.43) HSD11B1POLBHTTMAPTLMNA
SCHEMBL7824156 0.82 ALDH1A1 (0.46) HSD11B1POLBHTTMAPTMEN1
SCHEMBL7825737 0.82 HSD11B1 (0.52) HSD11B1POLBMAPTSMN1; SMN2TP53
SCHEMBL7828653 0.81 HSD11B1 (0.48) HSD11B1POLBMAPTSMN1; SMN2
SCHEMBL7831589 0.79 HSD11B1 (0.49) HSD11B1POLBHTTMAPTSMN1; SMN2
SCHEMBL7826317 0.78 HSD11B1 (0.50) HSD11B1POLBMAPTSMN1; SMN2TP53
SCHEMBL7827530 0.78 HSD11B1 (0.43) HSD11B1POLBHTTMAPT

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