SCHEMBL14293168

SCHEMBL14293168

Cn1cncc1CNC(=O)OC1CCc2c(sc(NC(=O)/C=C/c3cccnc3)c2N)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 2/20 0.36
NOD1 Q9Y239 2/20 0.36
NAMPT P43490 9/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
HDAC1 Q13547 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL14293167 0.90 MAPT (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL12882614 0.90 PTPN5 (0.40) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1209094 0.90 PTPN5 (0.40) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14293177 0.89 MAPT (0.38) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14293196 0.88 MAPT (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14292384 0.88 POLB (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14292923 0.88 MAPT (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14292922 0.87 NAMPT (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14292937 0.86 HDAC3 (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14293198 0.86 MAPT (0.38) MAPTMEN1KMT2AALDH1A1POLB

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