SCHEMBL8289693

SCHEMBL8289693

COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.77
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CASP3 P42574 1/20 0.74
SENP7 Q9BQF6 1/20 0.74
RECQL P46063 1/20 0.71
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 1/20 0.66
CLK1 P49759 1/20 0.64
GFER P55789 1/20 0.64
TP53 P04637 1/20 0.63

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
SCHEMBL8289437 0.86 FLT3 (0.95) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8290772 0.86 FLT3 (0.74) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8290584 0.86 FLT3 (0.95) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8211627 0.86 GLO1 (0.65) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL5463079 0.85 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL24425732 0.85 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL30148150 0.85 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL5453337 0.85 RAB9A (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8289838 0.84 RAB9A (0.72) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8290663 0.84 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A

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