SCHEMBL8309511

SCHEMBL8309511

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cn2ccnc2)c1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.83
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8308769 0.91 TBXAS1 (1.00) TBXAS1ALDH1A1MAPT
SCHEMBL8309573 0.90 TBXAS1 (1.00) TBXAS1
SCHEMBL8308551 0.87 TBXAS1 (0.64) TBXAS1ALDH1A1
SCHEMBL8304690 0.79 TBXAS1 (0.78) TBXAS1ALDH1A1
SCHEMBL8538416 0.79 TBXAS1 (0.88) TBXAS1
SCHEMBL8308709 0.78 TBXAS1 (0.77) TBXAS1
SCHEMBL8310212 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL8308771 0.75 TBXAS1 (0.71) TBXAS1
SCHEMBL8309517 0.74 TBXAS1 (0.66) TBXAS1ALDH1A1MAPT
SCHEMBL8595578 0.74 TBXAS1 (0.77) TBXAS1ALDH1A1MAPT

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 2 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