SCHEMBL14293184

SCHEMBL14293184

C#Cc1c(NC(=O)CCc2ccccc2OCC)sc2c1CCC(OC(=O)NCc1nccn1C)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
TP53 P04637 4/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL1207101 0.94 MAPT (0.43) MAPTTP53LMNAHPGDNPSR1
SCHEMBL14293466 0.90 MAPT (0.37) MAPTTP53LMNATHRBALPL
SCHEMBL14293170 0.88 MAPT (0.37) MAPTTP53LMNATHRBALPL
SCHEMBL14293173 0.88 MAPT (0.38) MAPTTP53LMNATHRBALPL
SCHEMBL14292943 0.88 MAPT (0.40) MAPTTP53THRBALPLALPI
SCHEMBL14292951 0.88 MAPT (0.42) MAPTTP53THRBMEN1ALDH1A1
SCHEMBL14293174 0.86 ALDH1A1 (0.39) MAPTTP53LMNATHRBHPGD
SCHEMBL14293465 0.86 MAPT (0.37) MAPTTP53LMNATHRBALPL
SCHEMBL1208612 0.84 ALDH1A1 (0.44) MAPTTP53LMNAHPGDNPSR1
SCHEMBL14292928 0.83 MAPT (0.43) MAPTTP53THRBMEN1ALDH1A1

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-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed