SCHEMBL8289809

SCHEMBL8289809

COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.96
RAB9A P51151 4/20 0.80
KMT2A Q03164 5/20 0.79
MEN1 O00255 3/20 0.79
NOD1 Q9Y239 1/20 0.79
RECQL P46063 1/20 0.70
NPC1 O15118 2/20 0.70
CASP3 P42574 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
RXFP1 Q9HBX9 1/20 0.67
TP53 P04637 1/20 0.62

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
SCHEMBL8290377 0.98 FLT3 (1.00) FLT3RAB9AKMT2AMEN1NOD1
SCHEMBL8290928 0.88 FLT3 (0.76) FLT3RAB9AKMT2AMEN1NOD1
SCHEMBL918754 0.87 MEN1 (0.98) FLT3RAB9AKMT2AMEN1NOD1
SCHEMBL22789501 0.86 FLT3 (0.79) FLT3RAB9AKMT2AMEN1NOD1
SCHEMBL8289414 0.86 FLT3 (0.96) FLT3RAB9AKMT2AMEN1RECQL
SCHEMBL24425732 0.85 FLT3 (1.00) FLT3RAB9AKMT2AMEN1RECQL
SCHEMBL30148150 0.85 FLT3 (1.00) FLT3RAB9AKMT2AMEN1RECQL
SCHEMBL12176888 0.85 TP53 (0.85) FLT3KMT2AMEN1NOD1RXFP1
SCHEMBL8289830 0.84 FLT3 (0.95) FLT3RAB9AKMT2AMEN1RECQL
SCHEMBL5455846 0.84 FLT3 (1.00) FLT3RAB9AKMT2AMEN1RECQL

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