SCHEMBL8288682

SCHEMBL8288682

N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.73
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
POLB P06746 2/20 0.70
ALDH1A1 P00352 1/20 0.68
MAPT P10636 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
CLK1 P49759 1/20 0.65
GFER P55789 1/20 0.65
RECQL P46063 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
SCHEMBL8288675 0.99 FLT3 (0.74) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL8289853 0.86 FLT3 (0.97) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL21651805 0.85 FLT3 (0.63) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL8290663 0.84 FLT3 (1.00) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL8289672 0.84 FLT3 (0.97) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL21651829 0.84 MEN1 (0.64) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL8289526 0.83 RAB9A (0.95) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL3277754 0.83 MAPK10 (0.80) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL5463079 0.83 FLT3 (1.00) FLT3NPC1RAB9APOLBALDH1A1
SCHEMBL3128198 0.83 FLT3 (1.00) FLT3NPC1RAB9APOLBALDH1A1

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