SCHEMBL8288731

SCHEMBL8288731

COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc2c1CCC2

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.74
POLB P06746 4/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
TP53 P04637 3/20 0.69
THRB P10828 1/20 0.65
ALDH1A1 P00352 3/20 0.64
FLT3 P36888 1/20 0.62
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL8290673 0.88 FLT3 (0.78) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468612 0.84 MAPT (0.78) MAPTPOLBTP53THRBALDH1A1
SCHEMBL8289522 0.83 TP53 (0.75) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468545 0.80 POLB (0.83) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468593 0.79 POLB (0.85) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468552 0.78 POLB (0.83) MAPTPOLBTP53THRBALDH1A1
SCHEMBL8289622 0.78 POLB (0.76) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468519 0.78 POLB (0.72) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468588 0.78 POLB (0.82) MAPTPOLBTP53THRBALDH1A1
SCHEMBL34468516 0.77 POLB (0.71) MAPTPOLBTP53THRBALDH1A1

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