SCHEMBL8307025

SCHEMBL8307025

CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccncc2)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.75
TBXA2R P21731 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL8306769 0.90 TBXAS1 (0.63) TBXAS1ALDH1A1MEN1LMNAHTT
SCHEMBL8310272 0.89 TBXAS1 (0.77) TBXAS1
SCHEMBL8593388 0.89 TBXAS1 (0.58) TBXAS1TBXA2RALDH1A1LMNA
SCHEMBL8306419 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8308715 0.85 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL10461981 0.84 TBXA2R (0.62) TBXAS1TBXA2RALDH1A1MEN1LMNA
SCHEMBL8310499 0.84 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL8308709 0.83 TBXAS1 (0.77) TBXAS1TBXA2R
SCHEMBL8307474 0.82 TBXAS1 (0.58) TBXAS1ALDH1A1MEN1HTTKMT2A
SCHEMBL8306671 0.82 TBXAS1 (0.79) 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