SCHEMBL7549323

SCHEMBL7549323

Cc1noc(-c2cccc(-c3ccccc3)c2S(N)(=O)=O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.48
EDNRB P24530 9/20 0.48
PTGS2 P35354 2/20 0.40
CA12 O43570 1/20 0.39
MT-CO2 P00403 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
CA4 P22748 1/20 0.39
PTGS1 P23219 1/20 0.39
CA6 P23280 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL9065654 0.87 EDNRB (0.50) EDNRAEDNRBPTGS2CA12MT-CO2
SCHEMBL8674510 0.79 EDNRA (0.47) EDNRAEDNRB
SCHEMBL31598837 0.79 EDNRA (0.47) EDNRAEDNRB
SCHEMBL30295791 0.78 PTGS2 (0.50) EDNRAEDNRBPTGS2CA12MT-CO2
SCHEMBL7850632 0.78 PTGS2 (0.50) EDNRAEDNRBPTGS2CA12MT-CO2
SCHEMBL7549314 0.76 EDNRA (0.45) EDNRAEDNRB
SCHEMBL17362252 0.73 CA2 (0.56) PTGS2CA12CA1CA2LMNA
SCHEMBL3751072 0.72 BRD4 (0.53) EDNRAEDNRBPTGS2PTGS1
SCHEMBL8479007 0.71 EDNRB (0.46) EDNRAEDNRBPTGS2CA12MT-CO2
SCHEMBL8474145 0.71 BRD4 (0.49) EDNRAEDNRBPTGS2CA12MT-CO2

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 5 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 claimed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP claimed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO claimed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed