SCHEMBL30808595

SCHEMBL30808595

O=C(O)CN1CCSc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
TP53 P04637 5/20 0.65
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
THRB P10828 2/20 0.54
NOTUM Q6P988 1/20 0.54

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
SCHEMBL7366935 0.91 HDAC1 (0.56) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL5940974 0.83 MAPT (0.47) MAPTTP53ALDH1A1KDM4EMEN1
Bromide SCHEMBL27458290 0.82 MAPT (0.46) MAPTTP53ALDH1A1KDM4EMEN1
Bromide SCHEMBL2951034 0.82 MAPT (0.46) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL3965014 0.80 MAPT (0.52) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL3965007 0.80 MAPT (0.52) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL30808588 0.79 MAPT (0.52) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL25600122 0.78 TP53 (0.55) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL10588893 0.77 HDAC1 (0.55) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL4056244 0.77 HDAC1 (0.75) MAPTTP53ALDH1A1KDM4EMEN1

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-2023250002-A1 IDENTIFICATION OF NOVEL BENZOTHIAZONES AS TAU-SH3 INTERACTION INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SOUTHERN RESEARCH INSTITUTE (US) 2023-12-28 WO disclosed