SCHEMBL8539634

SCHEMBL8539634

CS(=O)(=O)NCCc1ccc2c(c1)c(Cc1cccnc1)cn2CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.60

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
SCHEMBL8541869 0.91 TBXAS1 (0.62) TBXAS1
SCHEMBL8537426 0.87 TBXAS1 (0.76) TBXAS1
SCHEMBL8541916 0.84 TBXAS1 (0.55) TBXAS1
SCHEMBL8544402 0.83 TBXAS1 (0.56) TBXAS1
SCHEMBL8541177 0.82 TBXAS1 (0.54) TBXAS1
SCHEMBL8541134 0.82 TBXAS1 (0.54) TBXAS1
SCHEMBL8538702 0.80 TBXAS1 (0.64) TBXAS1
Trifluoroacetic Acid SCHEMBL9221603 0.79 TBXAS1 (0.55) TBXAS1
SCHEMBL8541210 0.79 TBXAS1 (0.72) TBXAS1
SCHEMBL8538159 0.78 TBXAS1 (0.50) 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