SCHEMBL31679831

SCHEMBL31679831

CC(C)c1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ IDH1 O75874 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PKM P14618 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
SCHEMBL24876294 1.00 MAPT (0.49) MAPTATMMEN1KMT2AIDH1
SCHEMBL31679912 0.90 MAPT (0.50) MAPTATMMEN1KMT2AIDH1
SCHEMBL31307838 0.85 MEN1 (0.67) MAPTATMMEN1KMT2AIDH1
SCHEMBL23493830 0.85 MEN1 (0.67) MAPTATMMEN1KMT2AIDH1
SCHEMBL24876310 0.85 THRB (0.56) MEN1KMT2AIDH1POLBTHRB
SCHEMBL31679956 0.85 THRB (0.56) MEN1KMT2AIDH1POLBTHRB
SCHEMBL27275127 0.84 MAPT (0.49) MAPTATMMEN1KMT2AIDH1
SCHEMBL24875965 0.84 MAPT (0.53) MAPTATMMEN1KMT2AIDH1
SCHEMBL31679873 0.84 MAPT (0.53) MAPTATMMEN1KMT2AIDH1
SCHEMBL24876376 0.84 MAPT (0.53) MAPTATMMEN1KMT2AIDH1

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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