SCHEMBL31605628

SCHEMBL31605628

COc1ccc(S(N)(=O)=O)c(OC)c1-c1noc2cc(C#N)c(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.39
▸ BRD4 O60885 11/20 0.38
▸ PKM P14618 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ USP8 P40818 1/20 0.33
▸ USP7 Q93009 1/20 0.33

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
SCHEMBL31605551 0.87 CA4 (0.41) CA4BRD4PKMCA12CA2
SCHEMBL31605585 0.80 KAT6A (0.44) CA4BRD4PKMCA12CA2
SCHEMBL31605621 0.77 CA4 (0.40) CA4BRD4PKMCA12CA2
Hydrochloric Acid SCHEMBL30590348 0.70 CA1 (0.40) CA4BRD4CA12CA2CA9
SCHEMBL30522039 0.69 CA4 (0.38) CA4BRD4CA12CA2CA9
SCHEMBL21596843 0.69 KAT6A (0.54) BRD4PKM
SCHEMBL31605550 0.69 KAT6A (0.54) BRD4PKM
SCHEMBL31535723 0.68 BRD4 (0.40) CA4BRD4CA12CA2CA9
SCHEMBL31605581 0.67 CA4 (0.39) CA4CA12CA2CA9CA1
SCHEMBL31605604 0.66 PTGS2 (0.39) CA4CA12CA2CA9CA1

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
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 — — CN disclosed
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