SCHEMBL24326253

SCHEMBL24326253

O=[N+]([O-])c1ccccc1SNCCCNSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 2/20 0.52
ALPG P10696 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.50
PDE7A Q13946 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KAT2B Q92831 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4A O75164 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
SCHEMBL31545915 0.83 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2897385 0.83 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20390494 0.83 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20161498 0.82 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2905085 0.79 MAPT (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL22601938 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2905084 0.79 MAPT (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL413498 0.77 MAPT (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11499699 0.77 MAPT (0.58) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20256177 0.77 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA

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-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed