SCHEMBL8307893

SCHEMBL8307893

CCOC(=O)CCc1cc(CCCS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.76
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL8306417 0.95 TBXAS1 (0.76) TBXAS1LMNATP53
SCHEMBL8306388 0.87 TBXAS1 (1.00) TBXAS1
SCHEMBL8304942 0.86 TBXAS1 (0.54) TBXAS1
SCHEMBL8308578 0.85 TBXAS1 (0.77) TBXAS1
SCHEMBL8706682 0.84 TBXAS1 (0.70) TBXAS1LMNATP53
SCHEMBL8307393 0.84 TBXAS1 (0.62) TBXAS1
SCHEMBL8309251 0.83 TBXAS1 (0.51) TBXAS1
SCHEMBL8308660 0.81 TBXAS1 (0.49) TBXAS1
SCHEMBL8306733 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL8706687 0.80 TBXAS1 (0.72) TBXAS1LMNATP53

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