SCHEMBL8289853

SCHEMBL8289853

NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2

nearest known ligand 0.97

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.97
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
TNF P01375 1/20 0.77
NOD1 Q9Y239 1/20 0.77
POLB P06746 1/20 0.76
ALDH1A1 P00352 1/20 0.74
MAPT P10636 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
ANO1 Q5XXA6 1/20 0.73
CASP3 P42574 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
CLK1 P49759 1/20 0.70
GFER P55789 1/20 0.70
CFTR P13569 1/20 0.67
KDM4E B2RXH2 1/20 0.67

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
SCHEMBL8290663 0.99 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8289437 0.96 FLT3 (0.95) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8289672 0.89 FLT3 (0.97) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL5463079 0.88 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8289526 0.88 RAB9A (0.95) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL3128198 0.87 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8288685 0.87 FLT3 (0.77) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8288682 0.86 FLT3 (0.73) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8289839 0.86 FLT3 (0.98) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL14366842 0.85 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A

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