SCHEMBL31120843

SCHEMBL31120843

C=CC(=O)N1CCC(c2ccccc2-c2cc(OC)c3c(-c4ccc(OC)c(S(N)(=O)=O)c4OC)noc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.39
▸ ITK Q08881 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ ATM Q13315 1/20 0.34

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
SCHEMBL31120886 0.85 KDM4E (0.39) —
SCHEMBL30545646 0.81 KAT6A (0.49) —
SCHEMBL26074066 0.81 KAT6A (0.49) —
SCHEMBL26077414 0.76 NPC1 (0.40) —
SCHEMBL26135081 0.70 KAT6A (0.50) —
SCHEMBL31120837 0.70 KAT7 (0.37) —
SCHEMBL26074385 0.69 KAT6A (0.49) —
SCHEMBL26074065 0.69 KAT6A (0.49) —
SCHEMBL31605601 0.68 CA1 (0.39) SCN9A
SCHEMBL29518564 0.68 CA4 (0.41) —

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
Send feedback