SCHEMBL479231

SCHEMBL479231

CCCCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.82
TDP1 Q9NUW8 6/20 0.70
MEN1 O00255 1/20 0.70
ABL1 P00519 1/20 0.70
LMNA P02545 1/20 0.70
PKM P14618 1/20 0.70
IDE P14735 1/20 0.70
MAPK1 P28482 1/20 0.70
KMT2A Q03164 1/20 0.70
RIN1 Q13671 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSAB1 Q15661 1/20 0.50

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
SCHEMBL17830117 1.00 HLCS (0.82) HLCSTDP1MEN1ABL1LMNA
SCHEMBL20411845 0.96 HLCS (0.77) HLCSTDP1MEN1ABL1LMNA
SCHEMBL13458991 0.94 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL24451172 0.91 TDP1 (0.71) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19249123 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14950957 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12654818 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10286412 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL13647376 0.91 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411809-A1 LUMINESCENCE ASSAY METHOD OY Arctic Partners AB (FI) 2012-02-01 EP disclosed
WO-2010109065-A1 LUMINESCENCE ASSAY METHOD OY ARCTIC PARTNERS AB (FI) 2010-09-30 WO disclosed