SCHEMBL8290772

SCHEMBL8290772

CNc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.74
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
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
RECQL P46063 1/20 0.64
ANO1 Q5XXA6 1/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL8289430 0.98 FLT3 (0.78) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL22789401 0.87 FLT3 (0.80) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8289437 0.86 FLT3 (0.95) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8289693 0.86 FLT3 (0.77) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8290584 0.86 FLT3 (0.95) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL5463079 0.85 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL5453337 0.85 RAB9A (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8290663 0.84 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL14366842 0.83 FLT3 (1.00) FLT3RAB9ANPC1MEN1KMT2A
SCHEMBL8289526 0.83 RAB9A (0.95) 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