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SCHEMBL8634963

SCHEMBL8634963

CN(O)C(=S)SCC=Cn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.CN(O)C(=S)SCC=Cn1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.39
▸ FAAH O00519 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PTGS1 P23219 6/20 0.36

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
SCHEMBL6309227 0.97 PTGS2 (0.39) PTGS2FAAHKCNH2PTGS1
SCHEMBL6307645 0.96 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL8634974 0.92 CA9 (0.39) PTGS2PTGS1
SCHEMBL6314715 0.89 CA1 (0.39) PTGS2PTGS1
SCHEMBL6308406 0.88 CA9 (0.40) PTGS2PTGS1
SCHEMBL6309825 0.76 PTGS2 (0.39) PTGS2FAAHKCNH2PTGS1
SCHEMBL6314476 0.74 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7777679 0.74 PTGS2 (0.50) PTGS2FAAHKCNH2PTGS1
SCHEMBL7772800 0.73 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6309707 0.72 PTGS2 (0.39) PTGS2FAAHKCNH2PTGS1

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
EP-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 — — EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 — — WO disclosed