SCHEMBL27224554

SCHEMBL27224554

CS(=O)(=O)c1c[c]cc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
WDR5 P61964 2/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL3051802 0.84 ENPP2 (0.39) ENPP2PTGS2
SCHEMBL27530286 0.76 PTGS2 (0.35) ENPP2PTGS2
SCHEMBL15094420 0.76 PTGS2 (0.37) ENPP2WDR5PTGS2
SCHEMBL1528953 0.74 PTGS2 (0.39) PTGS2
SCHEMBL21469773 0.74 ENPP2 (0.39) ENPP2WDR5PTGS2
SCHEMBL30633576 0.74 ENPP2 (0.39) ENPP2WDR5PTGS2
SCHEMBL23412319 0.74 ALDH1A1 (0.43)
SCHEMBL5367944 0.69 PTGS2 (0.39) PTGS2
SCHEMBL28987499 0.69 ALDH1A1 (0.39) PTGS2
SCHEMBL3193914 0.69 ENPP2 (0.39) ENPP2PTGS2

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-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 EP claimed
CN-109415359-B Heterocyclic GPR119 agonist compounds 人类制药有限公司 2022-03-04 CN disclosed