SCHEMBL8539371

SCHEMBL8539371

O=C(O)CCCn1cc(-c2cccnc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.57
TBXA2R P21731 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL8539586 0.95 TBXAS1 (0.63) TBXAS1TBXA2RPTGDR2
SCHEMBL8541102 0.89 TBXAS1 (0.48) TBXAS1TBXA2RPTGDR2
SCHEMBL8539547 0.87 TBXAS1 (0.53) TBXAS1TBXA2RPTGDR2
SCHEMBL8539741 0.78 TBXAS1 (0.91) TBXAS1TBXA2RPTGDR2
SCHEMBL8539221 0.73 TBXAS1 (1.00) TBXAS1TBXA2RPTGDR2
SCHEMBL8537998 0.70 TBXAS1 (0.73) TBXAS1TBXA2RPTGDR2
SCHEMBL8539267 0.70 TBXAS1 (0.79) TBXAS1PTGDR2
SCHEMBL9195934 0.70 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL10447700 0.69 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL10447701 0.69 TBXAS1 (0.55) 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 4 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
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US 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