SCHEMBL8583165

SCHEMBL8583165

Cc1c(Cn2ccnc2)c2cc(S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.59
PTGDR2 Q9Y5Y4 8/20 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
SCHEMBL8544076 0.75 TBXAS1 (1.00) TBXAS1PTGDR2
SCHEMBL8580490 0.74 TBXAS1 (0.61) TBXAS1PTGDR2
SCHEMBL8583166 0.72 TBXAS1 (0.63) TBXAS1PTGDR2
SCHEMBL8543306 0.72 TBXAS1 (0.85) TBXAS1PTGDR2
SCHEMBL8538416 0.72 TBXAS1 (0.88) TBXAS1PTGDR2
SCHEMBL8541550 0.69 TBXAS1 (0.78) TBXAS1
SCHEMBL9023844 0.66 TBXAS1 (0.72) TBXAS1
SCHEMBL8583787 0.66 TBXAS1 (0.58) TBXAS1PTGDR2
Dazmegrel SCHEMBL154037 0.64 TBXAS1 (1.00) TBXAS1
SCHEMBL1466115 0.63 PTGDR2 (0.84) PTGDR2

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
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 disclosed