SCHEMBL8308769

SCHEMBL8308769

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Cn2ccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 1.00
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
TBXA2R P21731 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL8309511 0.91 TBXAS1 (0.83) TBXAS1ALDH1A1MAPT
SCHEMBL8309573 0.91 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8304690 0.88 TBXAS1 (0.78) TBXAS1ALDH1A1TDP1
SCHEMBL8308771 0.83 TBXAS1 (0.71) TBXAS1
SCHEMBL8308551 0.78 TBXAS1 (0.64) TBXAS1ALDH1A1TDP1
SCHEMBL8308709 0.78 TBXAS1 (0.77) TBXAS1TBXA2R
SCHEMBL8309213 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL11109404 0.77 ALDH1A1 (0.91) TBXAS1ALDH1A1MAPTTBXA2RTDP1
SCHEMBL8309534 0.74 TBXAS1 (1.00) TBXAS1ALDH1A1MAPTTBXA2R
SCHEMBL11477599 0.74 TBXAS1 (1.00) TBXAS1MAPT

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