SCHEMBL8288694

SCHEMBL8288694

CC(=O)OC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.73
FLT3 P36888 9/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
TSHR P16473 2/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 2/20 0.61
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 4/20 0.55
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8288811 0.99 ANO1 (0.71) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL8289690 0.85 ANO1 (1.00) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL3924390 0.83 ANO1 (0.97) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL8289496 0.83 MAPT (0.68) ANO1KMT2AMEN1ALDH1A1HPGD
SCHEMBL8289832 0.81 ANO1 (0.92) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL8289718 0.81 FLT3 (0.97) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL4132192 0.80 ANO1 (0.76) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL3914847 0.79 FLT3 (1.00) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL5453572 0.78 ANO1 (0.73) ANO1FLT3KMT2AMEN1CYP1A2
SCHEMBL8288839 0.78 ANO1 (0.72) ANO1FLT3KMT2AMEN1CYP1A2

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