SCHEMBL8306801

SCHEMBL8306801

CN(C)S(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 1.00

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
SCHEMBL8305168 0.88 TBXAS1 (0.78) TBXAS1
SCHEMBL8304728 0.87 TBXAS1 (0.77) TBXAS1
SCHEMBL8309257 0.87 TBXAS1 (0.77) TBXAS1
SCHEMBL8304831 0.85 TBXAS1 (0.74) TBXAS1
SCHEMBL8304834 0.84 TBXAS1 (1.00) TBXAS1
SCHEMBL8309213 0.84 TBXAS1 (1.00) TBXAS1
SCHEMBL8306901 0.83 TBXAS1 (1.00) TBXAS1
SCHEMBL8310769 0.82 TBXAS1 (1.00) TBXAS1
SCHEMBL8305166 0.81 TBXAS1 (0.81) TBXAS1
SCHEMBL8308584 0.81 TBXAS1 (1.00) TBXAS1

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-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed