SCHEMBL8543710

SCHEMBL8543710

O=C(O)CCc1[nH]c2cccc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.62
TBXA2R P21731 3/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8543738 0.91 TBXAS1 (0.51) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL8541082 0.84 TBXAS1 (0.61) TBXAS1
SCHEMBL8543882 0.84 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL8541824 0.79 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL8544224 0.78 TBXAS1 (0.41) TBXAS1MEN1KMT2A
SCHEMBL8538814 0.77 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL8310212 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL8542531 0.76 TBXAS1 (0.50) TBXAS1
SCHEMBL8538700 0.76 TBXAS1 (0.55) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL8538829 0.73 TBXAS1 (0.59) TBXAS1TBXA2RMEN1KMT2A

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