SCHEMBL9733528

SCHEMBL9733528

O=C(O)CCCC(CCCNS(=O)(=O)c1ccc2ccccc2c1)CCc1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.82
TBXA2R P21731 1/20 0.61
ALDH1A1 P00352 1/20 0.61
IDO1 P14902 1/20 0.56

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
SCHEMBL9733134 0.90 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9733060 0.90 TBXAS1 (0.85) TBXAS1TBXA2R
SCHEMBL9733030 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9734468 0.86 TBXAS1 (0.82) TBXAS1TBXA2R
SCHEMBL9733047 0.85 TBXAS1 (0.75) TBXAS1TBXA2RALDH1A1IDO1
SCHEMBL9732621 0.85 TBXAS1 (0.81) TBXAS1TBXA2RIDO1
SCHEMBL9733526 0.84 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL9732154 0.84 TBXAS1 (0.82) TBXAS1TBXA2R
SCHEMBL9734224 0.81 TBXAS1 (0.75) TBXAS1TBXA2RIDO1
SCHEMBL9732992 0.79 TBXAS1 (0.85) TBXAS1TBXA2R

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed