SCHEMBL24876131

SCHEMBL24876131

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ MAPT P10636 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ IDH1 O75874 2/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TP53 P04637 2/20 0.41

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
SCHEMBL30211023 1.00 LMNA (0.55) LMNAMAPTATMMEN1KMT2A
SCHEMBL23493830 0.85 MEN1 (0.67) LMNAMAPTATMMEN1KMT2A
SCHEMBL31307838 0.85 MEN1 (0.67) LMNAMAPTATMMEN1KMT2A
SCHEMBL31680017 0.84 MAPT (0.53) LMNAMAPTATMMEN1KMT2A
SCHEMBL31679873 0.84 MAPT (0.53) LMNAMAPTATMMEN1KMT2A
SCHEMBL24875965 0.84 MAPT (0.53) LMNAMAPTATMMEN1KMT2A
SCHEMBL24876376 0.84 MAPT (0.53) LMNAMAPTATMMEN1KMT2A
SCHEMBL24876366 0.83 MEN1 (0.58) LMNAMAPTATMMEN1KMT2A
SCHEMBL24875967 0.83 THRB (0.53) MAPTATMMEN1KMT2ASMN1; SMN2
SCHEMBL24876227 0.83 MAPT (0.50) LMNAMAPTATMMEN1KMT2A

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-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 — — WO disclosed
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