SCHEMBL7840910

SCHEMBL7840910

Cc1noc(N(COCC[Si](C)(C)C)S(=O)(=O)c2ccccc2OBOc2ccccc2S(=O)(=O)N(COCC[Si](C)(C)C)c2onc(C)c2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
EDNRA P25101 6/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7842618 0.90 MAPT (0.38) MAPTTP53EDNRAPOLBALDH1A1
SCHEMBL4765130 0.83 MAPT (0.34) MAPTTP53EDNRAALDH1A1
SCHEMBL8784249 0.79 EDNRA (0.47) EDNRA
SCHEMBL8784337 0.78 EDNRA (0.39) EDNRA
SCHEMBL4769236 0.78 EDNRA (0.38) MAPTTP53EDNRA
SCHEMBL5530252 0.76 TP53 (0.32) MAPTTP53EDNRA
SCHEMBL4767237 0.76 EDNRB (0.39) EDNRA
SCHEMBL9088949 0.76 MAPT (0.38) MAPTTP53EDNRAPOLBALDH1A1
SCHEMBL6970298 0.75 EDNRA (0.38) EDNRAALDH1A1
SCHEMBL5787828 0.75 EDNRA (0.37) EDNRA

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