SCHEMBL8290738

SCHEMBL8290738

Cc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
TP53 P04637 3/20 1.00
RXFP1 Q9HBX9 1/20 0.75
FLT3 P36888 5/20 0.67
THRB P10828 1/20 0.65
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
RAB9A P51151 1/20 0.63
MAPK10 P53779 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 1/20 0.62
HPGD P15428 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
SCHEMBL5455859 0.90 MAPT (0.81) MAPTTP53RXFP1FLT3THRB
SCHEMBL8290598 0.88 MAPT (0.80) MAPTTP53RXFP1FLT3THRB
SCHEMBL4135422 0.82 HPGD (0.83) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL8289669 0.80 HPGD (0.76) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL5457782 0.80 ALDH1A1 (0.95) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL8288679 0.79 HPGD (0.78) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL3125764 0.79 ALDH1A1 (0.88) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL8289510 0.78 ALDH1A1 (0.78) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL8288697 0.78 ALDH1A1 (0.86) MAPTTP53FLT3MEN1ALDH1A1
SCHEMBL5454380 0.78 FLT3 (0.72) MAPTTP53FLT3MEN1ALDH1A1

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