SCHEMBL19102201

SCHEMBL19102201

O=C(CS)Nc1cccc2c1C(=O)c1cccc(NC(=O)CSSCC(=O)Nc3ccc(NC(=O)CS)c4c3C(=O)c3ccccc3C4=O)c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.56
MAOA P21397 1/20 0.51
TERT O14746 9/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
DNMT1 P26358 1/20 0.49
RAD52 P43351 1/20 0.49
SMARCA2 P51531 1/20 0.49
PTPRC P08575 1/20 0.46
PTPN13 Q12923 1/20 0.46
CASP3 P42574 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL1679969 0.86 TERT (0.60) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL1679982 0.86 TERT (0.63) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL14391457 0.84 TERT (0.53) APEX1MAOATERTMEN1ALDH1A1
SCHEMBL7929921 0.82 CYP1A2 (0.57) APEX1MAOATERTMEN1ALDH1A1
SCHEMBL1679959 0.82 TERT (0.64) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL15267669 0.80 TERT (0.56) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL5541185 0.80 TERT (0.57) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL5541192 0.80 MAPT (0.62) MAOATERTMEN1ALDH1A1MAPT
SCHEMBL17200786 0.76 TSHR (0.59) APEX1MAOATERTMEN1ALDH1A1
SCHEMBL6366249 0.74 L3MBTL1 (0.65) APEX1TERTMEN1ALDH1A1MAPT

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-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed