SCHEMBL25329308

SCHEMBL25329308

Cc1ccc(S(=O)(=O)O)c(CC(C)(C)C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
ELAVL1 Q15717 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.34
MEP1B Q16820 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL775754 0.88 GAA (0.35) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL30457518 0.87 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL625779 0.87 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL10377763 0.85 MEN1 (0.34) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL11670707 0.84 ALDH1A1 (0.35) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL11672805 0.84 ALDH1A1 (0.35) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL30667161 0.83 MEN1 (0.39) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL658696 0.83 GAA (0.39) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL7627786 0.83 MEN1 (0.39) MEN1ALDH1A1KMT2AGAAPOLB
SCHEMBL8916742 0.82 GAA (0.36) MEN1ALDH1A1KMT2AGAAPOLB

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-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed