SCHEMBL8543306

SCHEMBL8543306

COC(=O)CCn1c(C)c(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.85
PTGDR2 Q9Y5Y4 5/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL8544076 0.92 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2R
SCHEMBL8541550 0.87 TBXAS1 (0.78) TBXAS1
SCHEMBL8539463 0.84 TBXAS1 (0.83) TBXAS1
SCHEMBL8538416 0.78 TBXAS1 (0.88) TBXAS1PTGDR2TBXA2R
SCHEMBL8543963 0.78 TBXAS1 (0.58) TBXAS1
SCHEMBL8582800 0.77 TBXAS1 (0.55) TBXAS1
SCHEMBL8541166 0.77 TBXAS1 (0.66) TBXAS1
SCHEMBL8582880 0.76 TBXAS1 (0.56) TBXAS1
SCHEMBL8541010 0.75 TBXAS1 (0.55) TBXAS1
SCHEMBL8541003 0.75 TBXAS1 (0.55) 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 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