SCHEMBL25363328

SCHEMBL25363328

Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2c(C(F)(F)F)nc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.51
▸ PTGS1 P23219 9/20 0.51

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
SCHEMBL31578498 1.00 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL31578493 0.84 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL25368562 0.84 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL25366408 0.76 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL30899910 0.75 HSD11B1 (0.49) PTGS2PTGS1
SCHEMBL30899903 0.75 HSD11B1 (0.49) PTGS2PTGS1
SCHEMBL25365945 0.74 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL31229264 0.74 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL25364777 0.72 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL24266208 0.72 CA1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO disclosed
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