SCHEMBL8306484

SCHEMBL8306484

O=C(O)CCc1cc(CCNS(=O)(=O)N2CCCC2)cc(Cc2ccncc2)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.78
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8309265 0.88 TBXAS1 (1.00) TBXAS1
SCHEMBL8309354 0.87 TBXAS1 (1.00) TBXAS1
SCHEMBL8309319 0.86 TBXAS1 (0.59) TBXAS1HPGDMAPK1USP2ALDH1A1
SCHEMBL8309257 0.79 TBXAS1 (0.77) TBXAS1
SCHEMBL8306419 0.76 TBXAS1 (1.00) TBXAS1
SCHEMBL8305062 0.76 TBXAS1 (0.79) TBXAS1
SCHEMBL8307370 0.75 TBXAS1 (0.77) TBXAS1
SCHEMBL8309043 0.74 TBXAS1 (0.77) TBXAS1
SCHEMBL8305168 0.69 TBXAS1 (0.78) TBXAS1
SCHEMBL9178744 0.68 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 3 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-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed