SCHEMBL8289672

SCHEMBL8289672

NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.97
RAB9A P51151 8/20 0.97
NPC1 O15118 7/20 0.97
KMT2A Q03164 3/20 0.93
MEN1 O00255 2/20 0.93
CASP3 P42574 1/20 0.93
SENP7 Q9BQF6 1/20 0.93
ALDH1A1 P00352 3/20 0.81
POLB P06746 3/20 0.78
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
LMNA P02545 1/20 0.74
HPGD P15428 1/20 0.74
ESR2 Q92731 1/20 0.74
CTDSP1 Q9GZU7 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
ANO1 Q5XXA6 1/20 0.73

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
SCHEMBL3128198 0.99 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5453337 0.96 RAB9A (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL919352 0.90 MEN1 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289853 0.89 FLT3 (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL3916274 0.88 KMT2A (0.97) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8290663 0.87 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289839 0.87 FLT3 (0.98) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL8289526 0.86 RAB9A (0.95) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5463079 0.86 FLT3 (1.00) FLT3RAB9ANPC1KMT2AMEN1
SCHEMBL5457818 0.86 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