SCHEMBL8537426

SCHEMBL8537426

O=C(O)CCn1cc(Cc2cccnc2)c2cc(CCNS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.76
TBXA2R P21731 2/20 0.53

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
SCHEMBL8538702 0.92 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL8539634 0.87 TBXAS1 (0.60) TBXAS1
SCHEMBL8539221 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8538814 0.85 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL8541869 0.85 TBXAS1 (0.62) TBXAS1
SCHEMBL8542545 0.83 TBXAS1 (0.88) TBXAS1TBXA2R
SCHEMBL8539741 0.82 TBXAS1 (0.91) TBXAS1TBXA2R
SCHEMBL8541916 0.79 TBXAS1 (0.55) TBXAS1
SCHEMBL8310212 0.78 TBXAS1 (1.00) TBXAS1
SCHEMBL8541134 0.78 TBXAS1 (0.54) 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 1 patent. 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