SCHEMBL8288698

SCHEMBL8288698

NC(=O)c1c(NC(=O)c2cccc(N)c2)sc2c1CCCC2

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.79
RAB9A P51151 6/20 0.76
NPC1 O15118 5/20 0.76
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
CASP3 P42574 1/20 0.72
SENP7 Q9BQF6 1/20 0.72
ALDH1A1 P00352 2/20 0.67
MAPT P10636 2/20 0.67
POLB P06746 3/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL5457413 0.88 FLT3 (0.79) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8288686 0.88 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289839 0.87 FLT3 (0.98) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5455846 0.87 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL3128198 0.87 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289830 0.86 FLT3 (0.95) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289672 0.85 FLT3 (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289414 0.85 FLT3 (0.96) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL22789481 0.84 FLT3 (0.75) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8290377 0.84 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1

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