SCHEMBL31229264

SCHEMBL31229264

Cc1cc(Cl)nc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.48
▸ HSD11B1 P28845 1/20 0.45
▸ PTGS1 P23219 5/20 0.44

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
SCHEMBL25365945 1.00 PTGS2 (0.48) PTGS2HSD11B1PTGS1
SCHEMBL25365616 0.83 PTGS2 (0.44) PTGS2HSD11B1PTGS1
SCHEMBL30557552 0.83 PTGS2 (0.44) PTGS2HSD11B1PTGS1
SCHEMBL31578493 0.79 PTGS2 (0.48) PTGS2HSD11B1PTGS1
SCHEMBL25368562 0.79 PTGS2 (0.48) PTGS2HSD11B1PTGS1
SCHEMBL25366198 0.78 PTGS2 (0.50) PTGS2HSD11B1PTGS1
SCHEMBL31163636 0.78 PIK3CD (0.45) PTGS2HSD11B1PTGS1
SCHEMBL6666123 0.76 PIK3CD (0.51) PTGS2HSD11B1PTGS1
SCHEMBL25364702 0.76 PLAT (0.42) PTGS2HSD11B1PTGS1
SCHEMBL25363328 0.74 PTGS2 (0.51) PTGS2PTGS1

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
CN-118786130-A Substituted imidazopyridinyl compounds useful as TLR9 inhibitors 百时美施贵宝公司 2024-10-15 — — CN disclosed
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