SCHEMBL7828653

SCHEMBL7828653

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
TSHR P16473 1/20 0.43
MAPT P10636 9/20 0.41
POLB P06746 3/20 0.38
ELANE P08246 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7831952 0.90 HSD11B1 (0.52) HSD11B1MAPTPOLBCA12CA1
SCHEMBL7827530 0.87 HSD11B1 (0.43) HSD11B1MAPTPOLBELANE
SCHEMBL7339659 0.85 HSD11B1 (0.54) HSD11B1TSHRMAPTPOLBELANE
SCHEMBL7825737 0.84 HSD11B1 (0.52) HSD11B1MAPTPOLBCA12CA9
SCHEMBL7827115 0.81 HSD11B1 (0.46) HSD11B1MAPTPOLBSMN1; SMN2
SCHEMBL7831589 0.81 HSD11B1 (0.49) HSD11B1MAPTPOLBCA9SMN1; SMN2
SCHEMBL7824156 0.81 ALDH1A1 (0.46) HSD11B1TSHRMAPTPOLBSMN1; SMN2
SCHEMBL7826317 0.80 HSD11B1 (0.50) HSD11B1MAPTPOLBSMN1; SMN2
SCHEMBL7832196 0.79 HSD11B1 (0.43) HSD11B1MAPTPOLB
SCHEMBL7817798 0.78 HSD11B1 (0.41) 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