SCHEMBL31680045

SCHEMBL31680045

CC(C)(C)c1ccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ BRD4 O60885 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ THRB P10828 2/20 0.48
▸ PKM P14618 4/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ UQCRB P14927 1/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL24876017 0.85 MEN1 (0.70) MEN1KMT2ABRD4LMNATHRB
SCHEMBL31679837 0.84 LMNA (0.58) MEN1KMT2ABRD4LMNATHRB
SCHEMBL24876113 0.81 MEN1 (0.61) MEN1KMT2ALMNATHRBPKM
SCHEMBL24876209 0.80 MAPT (0.52) MEN1KMT2ALMNATHRBALDH1A1
SCHEMBL31679934 0.80 MEN1 (0.47) MEN1KMT2ALMNATHRBPKM
SCHEMBL24876169 0.76 MEN1 (0.72) MEN1KMT2ALMNATHRBPKM
SCHEMBL24876645 0.75 THRB (0.76) MEN1KMT2ALMNATHRBPKM
SCHEMBL31680055 0.75 THRB (0.76) MEN1KMT2ALMNATHRBPKM
SCHEMBL24876095 0.74 LMNA (0.69) MEN1KMT2ALMNATHRBPKM
SCHEMBL24876665 0.74 THRB (0.57) MEN1KMT2ABRD4LMNATHRB

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-4367103-B1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-09-03 — — EP disclosed
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