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Sugi Predict / Compounds / SCHEMBL6529090

SCHEMBL6529090

SCHEMBL6529090

Cc1ccnc(Nc2ccc(S(=O)(=O)n3c(C)c(CC(=O)O)c4cc(F)ccc43)cn2)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 18/20 0.62
▸ PTGDR Q13258 5/20 0.58
▸ CCKAR P32238 1/20 0.43
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41

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
SCHEMBL6529649 0.93 PTGDR2 (0.65) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6530807 0.92 PTGDR2 (0.66) PTGDR2PTGDRCCKAR
SCHEMBL6509405 0.89 PTGDR2 (0.68) PTGDR2PTGDRCCKAR
SCHEMBL6527662 0.88 PTGDR2 (0.63) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6531644 0.86 PTGDR2 (0.63) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6529400 0.86 PTGDR2 (0.65) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6528559 0.86 PTGDR2 (0.67) PTGDR2PTGDRCCKAR
SCHEMBL6529581 0.85 PTGDR2 (0.69) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6531084 0.85 PTGDR2 (0.64) PTGDR2PTGDRCCKARAKR1C3AKR1C2
SCHEMBL6530235 0.85 PTGDR2 (0.67) PTGDR2PTGDRCCKARAKR1C3AKR1C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 — — WO claimed
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 — — WO disclosed