SCHEMBL8309517

SCHEMBL8309517

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2ncc[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.66
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TBXA2R P21731 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL8309577 0.90 TBXAS1 (0.70) TBXAS1TBXA2R
SCHEMBL8308553 0.88 TBXAS1 (0.51) TBXAS1ALDH1A1
SCHEMBL8310212 0.79 TBXAS1 (1.00) TBXAS1
SCHEMBL8308715 0.79 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL8595578 0.79 TBXAS1 (0.77) TBXAS1ALDH1A1MAPTTBXA2R
SCHEMBL8595635 0.77 TBXAS1 (0.66) TBXAS1ALDH1A1MAPTTBXA2RLMNA
SCHEMBL8309511 0.74 TBXAS1 (0.83) TBXAS1ALDH1A1MAPT
SCHEMBL8593103 0.73 TBXA2R (0.67) TBXAS1TBXA2R
SCHEMBL8306419 0.72 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8592982 0.72 TBXAS1 (0.70) TBXAS1TBXA2R

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