SCHEMBL8288570

SCHEMBL8288570

Cn1c(SCC(=O)Nc2sc3c(c2N)CCCC3)nnc1-c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
GAA P10253 2/20 0.59
POLB P06746 7/20 0.57
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
USP2 O75604 2/20 0.49

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
SCHEMBL8288594 0.92 TP53 (0.59) MAPTKMT2AMEN1GAAPOLB
SCHEMBL22692834 0.88 ALDH1A1 (0.68) MAPTKMT2AMEN1GAAPOLB
SCHEMBL4210260 0.87 POLB (0.74) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL21045380 0.81 MAPT (0.68) MAPTKMT2AMEN1GAAPOLB
SCHEMBL21045545 0.80 ALDH1A1 (0.67) MAPTKMT2AMEN1GAAPOLB
SCHEMBL21045548 0.80 ALDH1A1 (0.72) MAPTKMT2AMEN1GAAPOLB
SCHEMBL21082792 0.79 ALDH1A1 (0.62) MAPTKMT2AMEN1GAAPOLB
SCHEMBL8288704 0.79 ALDH1A1 (0.72) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL22404679 0.78 ALDH1A1 (0.63) MAPTKMT2AMEN1GAAPOLB
SCHEMBL22692837 0.78 ALDH1A1 (0.67) MAPTKMT2AMEN1GAAPOLB

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed