SCHEMBL8539586

SCHEMBL8539586

O=C(O)CCn1cc(-c2cccnc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.63
PTGDR2 Q9Y5Y4 3/20 0.52
TBXA2R P21731 2/20 0.50
NAMPT P43490 1/20 0.46

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
SCHEMBL8539371 0.95 TBXAS1 (0.57) TBXAS1PTGDR2TBXA2R
SCHEMBL8539547 0.91 TBXAS1 (0.53) TBXAS1PTGDR2TBXA2RNAMPT
SCHEMBL8541102 0.85 TBXAS1 (0.48) TBXAS1PTGDR2TBXA2RNAMPT
SCHEMBL8539221 0.78 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2R
SCHEMBL8537998 0.75 TBXAS1 (0.73) TBXAS1PTGDR2TBXA2R
SCHEMBL8542321 0.74 PTGDR2 (0.56) TBXAS1PTGDR2
SCHEMBL8539741 0.73 TBXAS1 (0.91) TBXAS1PTGDR2TBXA2R
SCHEMBL8539522 0.70 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2R
SCHEMBL8539271 0.69 TBXAS1 (0.79) TBXAS1PTGDR2TBXA2R
SCHEMBL8541210 0.69 TBXAS1 (0.72) 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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP claimed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO claimed