SCHEMBL8309360

SCHEMBL8309360

CC(NS(=O)(=O)c1ccccc1)c1cc(CCC(=O)O)cc(C(CO)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
TBXAS1 P24557 15/20 0.54
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.43
TSHR P16473 1/20 0.43
TBXA2R P21731 2/20 0.43

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
SCHEMBL8304256 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TBXAS1NAMPTTSHR
SCHEMBL9183046 0.78 TBXAS1 (0.80) TBXAS1TBXA2R
SCHEMBL8309876 0.77 TBXAS1 (0.86) TBXAS1TBXA2R
SCHEMBL8308771 0.76 TBXAS1 (0.71) SMN1; SMN2TBXAS1NPSR1NAMPTTSHR
SCHEMBL11113512 0.74 NPSR1 (0.68) SMN1; SMN2NPSR1TSHR
SCHEMBL8304782 0.74 TBXAS1 (0.46) TBXAS1
SCHEMBL8307943 0.70 CYP4F2 (0.45) TBXAS1
SCHEMBL8309678 0.70 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8308755 0.70 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9312115 0.69 TBXAS1 (0.61) SMN1; SMN2TBXAS1TBXA2R

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