SCHEMBL6985496

SCHEMBL6985496

COCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1OBOc1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 4/20 0.34
TSHR P16473 3/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL6694770 0.83 EDNRA (0.40) MAPTTP53TSHRKMT2AL3MBTL1
SCHEMBL26688761 0.83 EDNRA (0.40) MAPTTP53TSHRKMT2AL3MBTL1
SCHEMBL29799735 0.83 EDNRA (0.40) MAPTTP53TSHRKMT2AL3MBTL1
SCHEMBL29799844 0.81 GAA (0.35) MAPTTP53LMNATSHRRECQL
SCHEMBL29281002 0.81 TSHR (0.34) MAPTTP53LMNATSHRRECQL
SCHEMBL30296047 0.81 EDNRB (0.42) MAPTTP53ALDH1A1GAAEDNRA
SCHEMBL30296125 0.80 NR1I2 (0.43) TP53LMNATSHRRECQLKMT2A
SCHEMBL30844549 0.78 ALPL (0.33) MAPTTP53TSHRKMT2AL3MBTL1
SCHEMBL25084130 0.78 TSHR (0.31) MAPTTP53LMNATSHRRECQL
SCHEMBL24823054 0.78 NFE2L2 (0.35) MAPTTP53TSHRSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328523-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES Bristol-Myers Squibb Company (US) 2003-07-23 EP disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
WO-2002032884-A2 METHODS FOR THE PREPARATION OF BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-25 WO disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed