SCHEMBL7842618

SCHEMBL7842618

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1OBOc1ccccc1S(=O)(=O)N(COCCOC)c1onc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
EDNRA P25101 6/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL7840910 0.90 MAPT (0.36) MAPTTP53EDNRAPOLBALDH1A1
SCHEMBL9088949 0.85 MAPT (0.38) MAPTTP53EDNRAPOLBALDH1A1
SCHEMBL6640093 0.85 EDNRA (0.44) MAPTTP53EDNRAPOLBBRD4
SCHEMBL4773317 0.83 MAPT (0.36) MAPTTP53EDNRAPOLBALDH1A1
SCHEMBL8351866 0.82 EDNRA (0.50) MAPTTP53EDNRA
SCHEMBL8348292 0.81 EDNRA (0.48) MAPTTP53EDNRA
SCHEMBL6772184 0.81 EDNRA (0.38) MAPTTP53EDNRA
SCHEMBL6640800 0.81 EDNRB (0.41) MAPTTP53EDNRA
SCHEMBL9089818 0.80 EDNRA (0.37) MAPTTP53EDNRA
SCHEMBL6770127 0.80 EDNRA (0.41) MAPTTP53EDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed