SCHEMBL24876210

SCHEMBL24876210

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 5/20 0.37

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
SCHEMBL24876191 0.88 MAPT (0.45) FFAR4MEN1KMT2AMAPTTP53
SCHEMBL24876167 0.84 FFAR4 (0.47) FFAR4MEN1KMT2AMAPTTP53
SCHEMBL10954956 0.77 MAPT (0.62) MEN1KMT2AMAPTTP53CASP3
SCHEMBL30211031 0.77 FFAR4 (0.57) FFAR4MEN1KMT2AMAPTTP53
SCHEMBL10958092 0.77 MAPT (0.53) MEN1KMT2AMAPTTP53CASP3
SCHEMBL14322739 0.71 MAPT (0.58) MEN1KMT2AMAPTTP53CASP3
SCHEMBL203169 0.71 MAPT (0.53) FFAR4MEN1KMT2AMAPTTP53
SCHEMBL23651401 0.69 MAPT (0.52) MEN1KMT2AMAPTTP53CASP3
SCHEMBL20529653 0.69 MAPT (0.49) MEN1KMT2AMAPTTP53CASP3
SCHEMBL31236029 0.69 FFAR4 (0.50) FFAR4MEN1KMT2AMAPTTP53

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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