SCHEMBL31120840

SCHEMBL31120840

COc1c(-c2noc3cc(Br)cc(OC)c23)cccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 7/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA12 O43570 5/20 0.37
▸ KAT7 O95251 3/20 0.35
▸ KAT6A Q92794 3/20 0.35
▸ KAT6B Q8WYB5 2/20 0.35
▸ KAT5 Q92993 1/20 0.35
▸ KAT8 Q9H7Z6 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ QPCT Q16769 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
SCHEMBL31605572 0.84 BRD4 (0.39) CA4CA9CA2CA1CA12
SCHEMBL31120831 0.82 KAT7 (0.40) CA4KAT7KAT6AKAT6BKAT5
SCHEMBL31605565 0.79 KDR (0.38) CA4CA9CA2CA1CA12
SCHEMBL31535723 0.78 BRD4 (0.40) CA4CA9CA2CA1CA12
SCHEMBL31605547 0.78 KDR (0.35) CA4CA9CA2CA1CA12
SCHEMBL31336115 0.77 KAT7 (0.40) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL31605618 0.75 KAT6A (0.42) CA4CA9CA2CA1CA12
SCHEMBL31560082 0.73 KAT7 (0.59) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL29518564 0.71 CA4 (0.41) CA4CA9CA2CA1CA12
Hydrochloric Acid SCHEMBL30590348 0.70 CA1 (0.40) CA4CA9CA2CA1CA12

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
WO-2023192817-A9 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2024-10-03 — — WO disclosed
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