SCHEMBL29802782

SCHEMBL29802782

CS(=O)(=O)c1ccc(-c2cccc(OCc3cccs3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.54
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 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
SCHEMBL23093418 1.00 PTGS2 (0.54) PTGS2MEN1NPC1POLBRAB9A
SCHEMBL23110546 0.81 MAPK14 (0.43) PTGS2NPC1RAB9A
SCHEMBL23110682 0.78 PTGS2 (0.47) PTGS2
SCHEMBL23111082 0.78 PTGS2 (0.69) PTGS2
SCHEMBL15730486 0.75 PTGS2 (0.48) PTGS2
SCHEMBL23110506 0.74 PTGS2 (0.48) PTGS2
SCHEMBL24334901 0.73 PTGS2 (0.68) PTGS2
SCHEMBL8605948 0.73 POLB (0.40) POLB
SCHEMBL3110288 0.69 HTR7 (0.46) KMT2A
SCHEMBL5585467 0.69 HDAC1 (0.39) NPC1RAB9A

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
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