SCHEMBL8289502

SCHEMBL8289502

COc1ccc(OC)c(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
RXFP1 Q9HBX9 1/20 0.70
FLT3 P36888 10/20 0.66
MAPT P10636 4/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL8289481 0.85 MAPT (0.61) KMT2AMEN1RXFP1MAPTTP53
SCHEMBL8289432 0.85 KMT2A (1.00) KMT2AMEN1RXFP1FLT3RECQL
SCHEMBL5460296 0.85 FLT3 (0.80) KMT2AMEN1RXFP1FLT3MAPT
SCHEMBL8290774 0.84 KMT2A (0.98) KMT2AMEN1RXFP1FLT3MAPT
SCHEMBL8288681 0.83 RXFP1 (0.98) KMT2AMEN1RXFP1FLT3MAPT
SCHEMBL8289500 0.82 RXFP1 (1.00) KMT2AMEN1RXFP1FLT3MAPT
SCHEMBL22095967 0.78 FLT3 (1.00) KMT2AMEN1FLT3MAPTTP53
SCHEMBL5458963 0.77 FLT3 (0.71) KMT2AMEN1RXFP1FLT3MAPT
SCHEMBL8290405 0.77 FLT3 (1.00) KMT2AMEN1FLT3MAPTTP53
SCHEMBL29766887 0.77 FLT3 (1.00) KMT2AMEN1FLT3MAPTTP53

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