SCHEMBL24876191

SCHEMBL24876191

Nc1cc(F)c(SNc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ HTT P42858 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MITF O75030 1/20 0.43
▸ EPHX2 P34913 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ GAA P10253 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALPG P10696 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ HPGD P15428 1/20 0.36

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
SCHEMBL24876210 0.88 FFAR4 (0.45) MAPTMEN1KMT2AHTTTP53
SCHEMBL10954956 0.78 MAPT (0.62) MAPTMEN1KMT2AHTTTP53
SCHEMBL10958092 0.78 MAPT (0.53) MAPTMEN1KMT2AHTTTP53
SCHEMBL31236029 0.76 FFAR4 (0.50) MAPTMEN1KMT2AHTTTP53
SCHEMBL203169 0.72 MAPT (0.53) MAPTMEN1KMT2AHTTTP53
SCHEMBL14322739 0.72 MAPT (0.58) MAPTMEN1KMT2AHTTTP53
SCHEMBL30068485 0.70 ALDH1A1 (0.41) MAPTMEN1KMT2AEPHX2ALDH1A1
SCHEMBL23389142 0.70 ALDH1A1 (0.41) MAPTMEN1KMT2AEPHX2ALDH1A1
SCHEMBL24876167 0.70 FFAR4 (0.47) MAPTMEN1KMT2AHTTTP53
SCHEMBL20529653 0.70 MAPT (0.49) MAPTMEN1KMT2AHTTTP53

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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