SCHEMBL5838481

SCHEMBL5838481

CCN(CC)c1ccc(N(S)C(=O)NC(=O)COc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
HTT P42858 4/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
NOX1 Q9Y5S8 2/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL4367675 0.86 PTPN1 (0.53) MAPTHTTTSHRMEN1KMT2A
SCHEMBL4364688 0.86 NPC1 (0.51) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL4370663 0.85 NPC1 (0.47) MAPTHTTTSHRMEN1KMT2A
SCHEMBL4364701 0.82 KMT2A (0.51) MAPTNOX1MEN1KMT2ARAB9A
SCHEMBL5838476 0.79 MAPT (0.72) MAPTHTTMAPK1TSHRNOX1
SCHEMBL4366082 0.79 NPC1 (0.56) MAPTHTTKMT2ARAB9ANPC1
SCHEMBL4367832 0.78 MEN1 (0.46) MAPTMAPK1TSHRMEN1KMT2A
SCHEMBL4363888 0.78 RAB9A (0.63) MAPTMAPK1TSHRMEN1KMT2A
SCHEMBL4365796 0.77 NPC1 (0.42) HTTMEN1KMT2ANPC1ALDH1A1
SCHEMBL4365410 0.75 ALDH1A1 (0.46) MAPTHTTTSHRMEN1KMT2A

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
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed