SCHEMBL29802404

SCHEMBL29802404

CS(=O)(=O)c1ccc(-c2nc(Br)ccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.47
PTGS1 P23219 6/20 0.47

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
SCHEMBL23093213 1.00 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6044693 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL319233 0.77 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL29802464 0.76 KCNH2 (0.56)
SCHEMBL23093419 0.76 KCNH2 (0.56)
SCHEMBL23093388 0.74 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL23110660 0.73 MAPK13 (0.40) PTGS2PTGS1
SCHEMBL27635242 0.70 KCNH2 (0.48) PTGS2PTGS1
SCHEMBL23093438 0.70 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL29802445 0.70 PTGS2 (0.48) 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
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed