SCHEMBL8290673

SCHEMBL8290673

COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCC2

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.78
MAPT P10636 8/20 0.77
TP53 P04637 5/20 0.76
RXFP1 Q9HBX9 1/20 0.69
ALDH1A1 P00352 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
POLB P06746 2/20 0.67
THRB P10828 2/20 0.63
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL34468545 0.89 POLB (0.83) FLT3MAPTTP53RXFP1ALDH1A1
SCHEMBL34468612 0.89 MAPT (0.78) FLT3MAPTTP53RXFP1ALDH1A1
SCHEMBL8288731 0.88 MAPT (0.74) FLT3MAPTTP53ALDH1A1POLB
SCHEMBL34468593 0.82 POLB (0.85) FLT3MAPTTP53ALDH1A1POLB
SCHEMBL8289522 0.81 TP53 (0.75) FLT3MAPTTP53ALDH1A1L3MBTL1
SCHEMBL34468552 0.81 POLB (0.83) FLT3MAPTTP53RXFP1ALDH1A1
SCHEMBL5805621 0.81 ALDH1A1 (0.72) MAPTALDH1A1L3MBTL1POLBKDM4E
SCHEMBL8289622 0.81 POLB (0.76) MAPTTP53ALDH1A1POLBTHRB
SCHEMBL3911862 0.81 GLO1 (0.83) FLT3MAPTTP53ALDH1A1L3MBTL1
SCHEMBL34468588 0.80 POLB (0.82) FLT3MAPTTP53RXFP1ALDH1A1

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