SCHEMBL29802485

SCHEMBL29802485

CS(=O)(=O)c1ccc(-n2ccc3ccc(Br)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.42
JAK2 O60674 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PTGS1 P23219 2/20 0.39

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
SCHEMBL23093152 1.00 PTGS2 (0.42) PTGS2JAK2HDAC6PTGS1
SCHEMBL5738793 0.75 PTGS2 (0.49) PTGS2HDAC6PTGS1
SCHEMBL3401229 0.74 JAK2 (0.45) PTGS2JAK2HDAC6PTGS1
SCHEMBL23093187 0.72 PTGS2 (0.45) PTGS2JAK2HDAC6
SCHEMBL23093379 0.71 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL23093167 0.71 PTGS2 (0.42) PTGS2JAK2HDAC6
SCHEMBL23093039 0.71 PTGS2 (0.42) PTGS2JAK2HDAC6
SCHEMBL23093041 0.71 PTGS2 (0.42) PTGS2JAK2HDAC6
SCHEMBL2336025 0.69 PTGS2 (0.45) PTGS2
SCHEMBL1657463 0.68 JAK2 (0.65) PTGS2JAK2HDAC6

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
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed